Product OPENEYE NAME: N-[5-(4-nitrophenyl)-2-furyl]methanimine
CAS Name: N-[5-(4-nitrophenyl)-2-furanyl]methanimine
IUPAC NAME: N-[5-(4-nitrophenyl)furan-2-yl]methanimine
SYSTEMATIC NAME: N-[5-(4-nitrophenyl)furan-2-yl]methanimine
MOLECULAR FORMULA: C11H8N2O3
MOLECULAR WEIGHT: 216.19282
SMILES: C=NC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-amino-1-[5-(4-bromophenyl)oxazol-2-yl]-5-methylene-imidazolidine-2,4-dione
CAS Name: 3-amino-1-[5-(4-bromophenyl)-2-oxazolyl]-5-methyleneimidazolidine-2,4-dione
IUPAC NAME: 3-amino-1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-5-methylideneimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-azanyl-1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-5-methylidene-imidazolidine-2,4-dione
MOLECULAR FORMULA: C13H9BrN4O3
MOLECULAR WEIGHT: 349.13956
SMILES: C=C1C(=O)N(C(=O)N1C2=NC=C(O2)C3=CC=C(C=C3)Br)N
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Product OPENEYE NAME: 7-chloro-4-isocyanato-2-methyl-benzofuran
CAS Name: 7-chloro-4-isocyanato-2-methylbenzofuran
IUPAC NAME: 7-chloro-4-isocyanato-2-methyl-1-benzofuran
SYSTEMATIC NAME: 7-chloranyl-4-isocyanato-2-methyl-1-benzofuran
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: CC1=CC2=C(C=CC(=C2O1)Cl)N=C=O
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Product OPENEYE NAME: 2-oxido-4H-triazol-2-ium
CAS Name: 2-oxido-4H-triazol-2-ium
IUPAC NAME: 2-oxido-4H-triazol-2-ium
SYSTEMATIC NAME: 2-oxidanidyl-4H-1,2,3-triazol-2-ium
MOLECULAR FORMULA: C2H3N3O
MOLECULAR WEIGHT: 85.06472
SMILES: C1C=N[N+](=N1)[O-]
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Product OPENEYE NAME: 3-[[4-(tert-butoxycarbonylamino)phenyl]methoxy]-2,2-dimethyl-3-oxo-propanoic acid
CAS Name: 2,2-dimethyl-3-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methoxy]-3-oxopropanoic acid
IUPAC NAME: 2,2-dimethyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C17H23NO6
MOLECULAR WEIGHT: 337.36762
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)COC(=O)C(C)(C)C(=O)O
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Product OPENEYE NAME: 3-benzhydryloxy-1,3-dimethyl-8-(1-piperidyl)-7-propyl-purin-3-ium-2,6-dione
CAS Name: 3-(diphenylmethyl)oxy-1,3-dimethyl-8-(1-piperidinyl)-7-propylpurin-3-ium-2,6-dione
IUPAC NAME: 3-benzhydryloxy-1,3-dimethyl-8-piperidin-1-yl-7-propylpurin-3-ium-2,6-dione
SYSTEMATIC NAME: 3-(diphenylmethyl)oxy-1,3-dimethyl-8-piperidin-1-yl-7-propyl-purin-3-ium-2,6-dione
MOLECULAR FORMULA: C28H34N5O3+
MOLECULAR WEIGHT: 488.60126
SMILES: CCCN1C2=C(N=C1N3CCCCC3)[N+](C(=O)N(C2=O)C)(C)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 8-(4-benzhydryloxy-1-piperidyl)-1,3-dimethyl-7-propyl-purine-2,6-dione
CAS Name: 8-[4-(diphenylmethyl)oxy-1-piperidinyl]-1,3-dimethyl-7-propylpurine-2,6-dione
IUPAC NAME: 8-(4-benzhydryloxypiperidin-1-yl)-1,3-dimethyl-7-propylpurine-2,6-dione
SYSTEMATIC NAME: 8-[4-(diphenylmethyl)oxypiperidin-1-yl]-1,3-dimethyl-7-propyl-purine-2,6-dione
MOLECULAR FORMULA: C28H33N5O3
MOLECULAR WEIGHT: 487.59332
SMILES: CCCN1C2=C(N=C1N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 4-[bis(4-fluorophenyl)methoxy]-7-ethyl-1,3-dimethyl-8-(1-piperidyl)-5H-purine-2,6-dione
CAS Name: 4-[bis(4-fluorophenyl)methoxy]-7-ethyl-1,3-dimethyl-8-(1-piperidinyl)-5H-purine-2,6-dione
IUPAC NAME: 4-[bis(4-fluorophenyl)methoxy]-7-ethyl-1,3-dimethyl-8-piperidin-1-yl-5H-purine-2,6-dione
SYSTEMATIC NAME: 4-[bis(4-fluorophenyl)methoxy]-7-ethyl-1,3-dimethyl-8-piperidin-1-yl-5H-purine-2,6-dione
MOLECULAR FORMULA: C27H31F2N5O3
MOLECULAR WEIGHT: 511.563546
SMILES: CCN1C2C(=O)N(C(=O)N(C2(N=C1N3CCCCC3)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C)C
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Product OPENEYE NAME: 2-[4-(4-methoxyphenyl)-2-thienyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-[4-(4-methoxyphenyl)-2-thiophenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-[4-(4-methoxyphenyl)thiophen-2-yl]-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-[4-(4-methoxyphenyl)thiophen-2-yl]-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C16H9Cl6N3OS
MOLECULAR WEIGHT: 504.04516
SMILES: COC1=CC=C(C=C1)C2=CSC(=C2)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: (4E)-2,5,6,6-tetrahydroxy-4-[hydroxy(phenyl)methylene]cyclohex-2-en-1-one
CAS Name: (4E)-2,5,6,6-tetrahydroxy-4-[hydroxy(phenyl)methylidene]-1-cyclohex-2-enone
IUPAC NAME: (4E)-2,5,6,6-tetrahydroxy-4-[hydroxy(phenyl)methylidene]cyclohex-2-en-1-one
SYSTEMATIC NAME: (4E)-2,5,6,6-tetrakis(oxidanyl)-4-[oxidanyl(phenyl)methylidene]cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H12O6
MOLECULAR WEIGHT: 264.23078
SMILES: C1=CC=C(C=C1)/C(=C\2/C=C(C(=O)C(C2O)(O)O)O)/O
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Product OPENEYE NAME: 2-acetoxy-3,3,3-trifluoro-2-methyl-propanoic acid
CAS Name: 2-acetyloxy-3,3,3-trifluoro-2-methylpropanoic acid
IUPAC NAME: 2-acetyloxy-3,3,3-trifluoro-2-methylpropanoic acid
SYSTEMATIC NAME: 2-acetyloxy-3,3,3-tris(fluoranyl)-2-methyl-propanoic acid
MOLECULAR FORMULA: C6H7F3O4
MOLECULAR WEIGHT: 200.11259
SMILES: CC(=O)OC(C)(C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 3,3,4,4,5,5,6,6,6-nonafluoro-2-iodo-hex-1-ene
CAS Name: 3,3,4,4,5,5,6,6,6-nonafluoro-2-iodo-1-hexene
IUPAC NAME: 3,3,4,4,5,5,6,6,6-nonafluoro-2-iodohex-1-ene
SYSTEMATIC NAME: 3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)-2-iodanyl-hex-1-ene
MOLECULAR FORMULA: C6H2F9I
MOLECULAR WEIGHT: 371.970179
SMILES: C=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
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Product OPENEYE NAME: methyl 6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
CAS Name: 6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid methyl ester
IUPAC NAME: methyl 6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
SYSTEMATIC NAME: methyl 6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: CC12CCC3C(C1CCC2C(=O)OC)CC=C4C3(CCC(=O)N4C)C
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Product OPENEYE NAME: 2-[cyano(phenyl)methyl]-5-fluoro-benzonitrile
CAS Name: 2-[cyano(phenyl)methyl]-5-fluorobenzonitrile
IUPAC NAME: 2-[cyano(phenyl)methyl]-5-fluorobenzonitrile
SYSTEMATIC NAME: 2-[cyano(phenyl)methyl]-5-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C15H9FN2
MOLECULAR WEIGHT: 236.243763
SMILES: C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)F)C#N
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Product OPENEYE NAME: N,2-diphenyl-N-propyl-aniline
CAS Name: N,2-diphenyl-N-propylaniline
IUPAC NAME: N,2-diphenyl-N-propylaniline
SYSTEMATIC NAME: N,2-diphenyl-N-propyl-aniline
MOLECULAR FORMULA: C21H21N
MOLECULAR WEIGHT: 287.39814
SMILES: CCCN(C1=CC=CC=C1)C2=CC=CC=C2C3=CC=CC=C3
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Product OPENEYE NAME: (1,2-dibromo-2,2-dichloro-ethyl) 2,2-dimethylcyclopropanecarboxylate
CAS Name: 2,2-dimethyl-1-cyclopropanecarboxylic acid (1,2-dibromo-2,2-dichloroethyl) ester
IUPAC NAME: (1,2-dibromo-2,2-dichloroethyl) 2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [1,2-bis(bromanyl)-2,2-bis(chloranyl)ethyl] 2,2-dimethylcyclopropane-1-carboxylate
MOLECULAR FORMULA: C8H10Br2Cl2O2
MOLECULAR WEIGHT: 368.8778
SMILES: CC1(CC1C(=O)OC(C(Cl)(Cl)Br)Br)C
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Product OPENEYE NAME: 2-bromo-2-[(2,3,5,6-tetrafluorophenyl)methoxy]tetrahydropyran
CAS Name: 2-bromo-2-[(2,3,5,6-tetrafluorophenyl)methoxy]oxane
IUPAC NAME: 2-bromo-2-[(2,3,5,6-tetrafluorophenyl)methoxy]oxane
SYSTEMATIC NAME: 2-bromanyl-2-[[2,3,5,6-tetrakis(fluoranyl)phenyl]methoxy]oxane
MOLECULAR FORMULA: C12H11BrF4O2
MOLECULAR WEIGHT: 343.112153
SMILES: C1CCOC(C1)(OCC2=C(C(=CC(=C2F)F)F)F)Br
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Product OPENEYE NAME: 4-(2-chloroallyl)-2-[(2,3,5,6-tetrafluorophenyl)methoxy]tetrahydropyran
CAS Name: 4-(2-chloroprop-2-enyl)-2-[(2,3,5,6-tetrafluorophenyl)methoxy]oxane
IUPAC NAME: 4-(2-chloroprop-2-enyl)-2-[(2,3,5,6-tetrafluorophenyl)methoxy]oxane
SYSTEMATIC NAME: 4-(2-chloranylprop-2-enyl)-2-[[2,3,5,6-tetrakis(fluoranyl)phenyl]methoxy]oxane
MOLECULAR FORMULA: C15H15ClF4O2
MOLECULAR WEIGHT: 338.725013
SMILES: C=C(CC1CCOC(C1)OCC2=C(C(=CC(=C2F)F)F)F)Cl
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Product OPENEYE NAME: 1-(4-nitrophenyl)-1-(1-phenylethyl)urea
CAS Name: 1-(4-nitrophenyl)-1-(1-phenylethyl)urea
IUPAC NAME: 1-(4-nitrophenyl)-1-(1-phenylethyl)urea
SYSTEMATIC NAME: 1-(4-nitrophenyl)-1-(1-phenylethyl)urea
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: CC(C1=CC=CC=C1)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N
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Product OPENEYE NAME: (4-nitrocyclohexa-2,5-dien-1-yl)benzene
CAS Name: (4-nitro-1-cyclohexa-2,5-dienyl)benzene
IUPAC NAME: (4-nitrocyclohexa-2,5-dien-1-yl)benzene
SYSTEMATIC NAME: (4-nitrocyclohexa-2,5-dien-1-yl)benzene
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1=CC=C(C=C1)C2C=CC(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(3-hydroxy-2,2-dimethyl-pyrano[3,2-c]pyridin-4-yl)pyrrolidin-2-one
CAS Name: 1-(3-hydroxy-2,2-dimethyl-4-pyrano[3,2-c]pyridinyl)-2-pyrrolidinone
IUPAC NAME: 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2,2-dimethyl-3-oxidanyl-pyrano[3,2-c]pyridin-4-yl)pyrrolidin-2-one
MOLECULAR FORMULA: C14H16N2O3
MOLECULAR WEIGHT: 260.28844
SMILES: CC1(C(=C(C2=C(O1)C=CN=C2)N3CCCC3=O)O)C
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Product OPENEYE NAME: N-(6-cyano-3-hydroxy-2,2-dimethyl-chromen-4-yl)acetamide
CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-1-benzopyran-4-yl)acetamide
IUPAC NAME: N-(6-cyano-3-hydroxy-2,2-dimethylchromen-4-yl)acetamide
SYSTEMATIC NAME: N-(6-cyano-2,2-dimethyl-3-oxidanyl-chromen-4-yl)ethanamide
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: CC(=O)NC1=C(C(OC2=C1C=C(C=C2)C#N)(C)C)O
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Product OPENEYE NAME: N,N'-dimethyl-N-thieno[2,3-c]pyridin-2-ylsulfonyl-formamidine
CAS Name: N,N'-dimethyl-N-(2-thieno[2,3-c]pyridinylsulfonyl)methanimidamide
IUPAC NAME: N,N'-dimethyl-N-thieno[2,3-c]pyridin-2-ylsulfonylmethanimidamide
SYSTEMATIC NAME: N,N'-dimethyl-N-thieno[2,3-c]pyridin-2-ylsulfonyl-methanimidamide
MOLECULAR FORMULA: C10H11N3O2S2
MOLECULAR WEIGHT: 269.34324
SMILES: CN=CN(C)S(=O)(=O)C1=CC2=C(S1)C=NC=C2
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Product OPENEYE NAME: N'-(2-pyridylsulfonyl)formamidine
CAS Name: N'-(2-pyridinylsulfonyl)methanimidamide
IUPAC NAME: N'-pyridin-2-ylsulfonylmethanimidamide
SYSTEMATIC NAME: N'-pyridin-2-ylsulfonylmethanimidamide
MOLECULAR FORMULA: C6H7N3O2S
MOLECULAR WEIGHT: 185.20368
SMILES: C1=CC=NC(=C1)S(=O)(=O)/N=C/N
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