Product OPENEYE NAME: 1,2,3,4-tetrachloro-5-nitro-benzene
CAS Name: 1,2,3,4-tetrachloro-5-nitrobenzene
IUPAC NAME: 1,2,3,4-tetrachloro-5-nitrobenzene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-5-nitro-benzene
MOLECULAR FORMULA: C6HCl4NO2
MOLECULAR WEIGHT: 260.88964
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (2-bromophenyl)methyl-methyl-prop-2-ynyl-ammonium chloride
CAS Name: (2-bromophenyl)methyl-methyl-prop-2-ynylammonium chloride
IUPAC NAME: (2-bromophenyl)methyl-methyl-prop-2-ynylazanium chloride
SYSTEMATIC NAME: (2-bromophenyl)methyl-methyl-prop-2-ynyl-azanium chloride
MOLECULAR FORMULA: C11H13BrClN
MOLECULAR WEIGHT: 274.58462
SMILES: C[NH+](CC#C)CC1=CC=CC=C1Br.[Cl-]
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Product OPENEYE NAME: N-[(2-bromophenyl)methyl]-N-methyl-prop-2-yn-1-amine
CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-propyn-1-amine
IUPAC NAME: N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
SYSTEMATIC NAME: N-[(2-bromophenyl)methyl]-N-methyl-prop-2-yn-1-amine
MOLECULAR FORMULA: C11H12BrN
MOLECULAR WEIGHT: 238.12368
SMILES: CN(CC#C)CC1=CC=CC=C1Br
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Product OPENEYE NAME: 3-fluoroadamantane-1-carboxylic acid
CAS Name: 3-fluoro-1-adamantanecarboxylic acid
IUPAC NAME: 3-fluoroadamantane-1-carboxylic acid
SYSTEMATIC NAME: 3-fluoranyladamantane-1-carboxylic acid
MOLECULAR FORMULA: C11H15FO2
MOLECULAR WEIGHT: 198.234003
SMILES: C1C2CC3(CC1CC(C2)(C3)F)C(=O)O
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Product OPENEYE NAME: 2-methyl-1-nitro-naphthalene
CAS Name: 2-methyl-1-nitronaphthalene
IUPAC NAME: 2-methyl-1-nitronaphthalene
SYSTEMATIC NAME: 2-methyl-1-nitro-naphthalene
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-8-nitro-quinoline
CAS Name: 2-methyl-8-nitroquinoline
IUPAC NAME: 2-methyl-8-nitroquinoline
SYSTEMATIC NAME: 2-methyl-8-nitro-quinoline
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: CC1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1
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Product OPENEYE NAME: 1,3-bis(trichloromethyl)benzene
CAS Name: 1,3-bis(trichloromethyl)benzene
IUPAC NAME: 1,3-bis(trichloromethyl)benzene
SYSTEMATIC NAME: 1,3-bis(trichloromethyl)benzene
MOLECULAR FORMULA: C8H4Cl6
MOLECULAR WEIGHT: 312.83536
SMILES: C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-(4-chlorophenyl)azopropanedinitrile
CAS Name: 2-(4-chlorophenyl)azopropanedinitrile
IUPAC NAME: 2-[(4-chlorophenyl)diazenyl]propanedinitrile
SYSTEMATIC NAME: 2-[(4-chlorophenyl)diazenyl]propanedinitrile
MOLECULAR FORMULA: C9H5ClN4
MOLECULAR WEIGHT: 204.6158
SMILES: C1=CC(=CC=C1N=NC(C#N)C#N)Cl
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Product OPENEYE NAME: (phenyldisulfanyl)benzene
CAS Name: (phenyldisulfanyl)benzene
IUPAC NAME: (phenyldisulfanyl)benzene
SYSTEMATIC NAME: (phenyldisulfanyl)benzene
MOLECULAR FORMULA: C12H10S2
MOLECULAR WEIGHT: 218.3378
SMILES: C1=CC=C(C=C1)SSC2=CC=CC=C2
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Product OPENEYE NAME: [2-fluoro-1-(fluoromethyl)ethyl] benzenesulfonate
CAS Name: benzenesulfonic acid 1,3-difluoropropan-2-yl ester
IUPAC NAME: 1,3-difluoropropan-2-yl benzenesulfonate
SYSTEMATIC NAME: 1,3-bis(fluoranyl)propan-2-yl benzenesulfonate
MOLECULAR FORMULA: C9H10F2O3S
MOLECULAR WEIGHT: 236.235706
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC(CF)CF
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Product OPENEYE NAME: 9-methylphenanthrene
CAS Name: 9-methylphenanthrene
IUPAC NAME: 9-methylphenanthrene
SYSTEMATIC NAME: 9-methylphenanthrene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: CC1=CC2=CC=CC=C2C3=CC=CC=C13
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Product OPENEYE NAME: 2-phenyl-1,3-benzothiazole
CAS Name: 2-phenyl-1,3-benzothiazole
IUPAC NAME: 2-phenyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-phenyl-1,3-benzothiazole
MOLECULAR FORMULA: C13H9NS
MOLECULAR WEIGHT: 211.28226
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 2,4,6-triethoxy-1,3,5-triazine
CAS Name: 2,4,6-triethoxy-1,3,5-triazine
IUPAC NAME: 2,4,6-triethoxy-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-triethoxy-1,3,5-triazine
MOLECULAR FORMULA: C9H15N3O3
MOLECULAR WEIGHT: 213.2337
SMILES: CCOC1=NC(=NC(=N1)OCC)OCC
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Product OPENEYE NAME: 1-(1,1-dioxothiolan-3-yl)-2-phenyl-hydrazine
CAS Name: 1-(1,1-dioxo-3-thiolanyl)-2-phenylhydrazine
IUPAC NAME: 1-(1,1-dioxothiolan-3-yl)-2-phenylhydrazine
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-phenyl-diazane
MOLECULAR FORMULA: C10H14N2O2S
MOLECULAR WEIGHT: 226.29536
SMILES: C1CS(=O)(=O)CC1NNC2=CC=CC=C2
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Product OPENEYE NAME: anilino-(1,1-dioxothiolan-3-yl)ammonium chloride
CAS Name: anilino-(1,1-dioxo-3-thiolanyl)ammonium chloride
IUPAC NAME: anilino-(1,1-dioxothiolan-3-yl)azanium chloride
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)thiolan-3-yl]-phenylazanyl-azanium chloride
MOLECULAR FORMULA: C10H15ClN2O2S
MOLECULAR WEIGHT: 262.7563
SMILES: C1CS(=O)(=O)CC1[NH2+]NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: 1,5-dimethyl-4-nitroso-2-phenyl-pyrazol-3-one
CAS Name: 1,5-dimethyl-4-nitroso-2-phenyl-3-pyrazolone
IUPAC NAME: 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 1,5-dimethyl-4-nitroso-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=O
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Product OPENEYE NAME: 2-(dimethylamino)-2-(1-naphthyl)acetonitrile
CAS Name: 2-(dimethylamino)-2-(1-naphthalenyl)acetonitrile
IUPAC NAME: 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile
SYSTEMATIC NAME: 2-(dimethylamino)-2-naphthalen-1-yl-ethanenitrile
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: CN(C)C(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: (2-oxo-1,2-diphenyl-ethyl)ammonium chloride
CAS Name: (2-oxo-1,2-diphenylethyl)ammonium chloride
IUPAC NAME: (2-oxo-1,2-diphenylethyl)azanium chloride
SYSTEMATIC NAME: (2-oxidanylidene-1,2-diphenyl-ethyl)azanium chloride
MOLECULAR FORMULA: C14H14ClNO
MOLECULAR WEIGHT: 247.72006
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)[NH3+].[Cl-]
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Product OPENEYE NAME: 2-amino-1,2-diphenyl-ethanone
CAS Name: 2-amino-1,2-diphenylethanone
IUPAC NAME: 2-amino-1,2-diphenylethanone
SYSTEMATIC NAME: 2-azanyl-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)N
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Product OPENEYE NAME: 2-nitro-4-phenyl-phenol
CAS Name: 2-nitro-4-phenylphenol
IUPAC NAME: 2-nitro-4-phenylphenol
SYSTEMATIC NAME: 2-nitro-4-phenyl-phenol
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-chlorophenoxy)-4,6-difluoro-1,3,5-triazine
CAS Name: 2-(2-chlorophenoxy)-4,6-difluoro-1,3,5-triazine
IUPAC NAME: 2-(2-chlorophenoxy)-4,6-difluoro-1,3,5-triazine
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)-4,6-bis(fluoranyl)-1,3,5-triazine
MOLECULAR FORMULA: C9H4ClF2N3O
MOLECULAR WEIGHT: 243.597366
SMILES: C1=CC=C(C(=C1)OC2=NC(=NC(=N2)F)F)Cl
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Product OPENEYE NAME: N2-tert-butyl-N4-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Name: N2-tert-butyl-N4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-tert-butyl-N4-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H19N5S
MOLECULAR WEIGHT: 241.35636
SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
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Product OPENEYE NAME: 1-cyclohexyl-3-phenyl-urea
CAS Name: 1-cyclohexyl-3-phenylurea
IUPAC NAME: 1-cyclohexyl-3-phenylurea
SYSTEMATIC NAME: 1-cyclohexyl-3-phenyl-urea
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: C1CCC(CC1)NC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 4-phenylbuta-1,3-dienylbenzene
CAS Name: 4-phenylbuta-1,3-dienylbenzene
IUPAC NAME: 4-phenylbuta-1,3-dienylbenzene
SYSTEMATIC NAME: 4-phenylbuta-1,3-dienylbenzene
MOLECULAR FORMULA: C16H14
MOLECULAR WEIGHT: 206.28236
SMILES: C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2
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