Product OPENEYE NAME: N,N-dimethylprop-2-enamide
CAS Name: N,N-dimethyl-2-propenamide
IUPAC NAME: N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: N,N-dimethylprop-2-enamide
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CN(C)C(=O)C=C
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Product OPENEYE NAME: 3,3-bis(4-aminophenyl)butan-2-one
CAS Name: 3,3-bis(4-aminophenyl)-2-butanone
IUPAC NAME: 3,3-bis(4-aminophenyl)butan-2-one
SYSTEMATIC NAME: 3,3-bis(4-aminophenyl)butan-2-one
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC(=O)C(C)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N
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Product OPENEYE NAME: (3,4,5-trimethylphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (3,4,5-trimethylphenyl) ester
IUPAC NAME: (3,4,5-trimethylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (3,4,5-trimethylphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1=CC(=CC(=C1C)C)OC(=O)NC
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Product OPENEYE NAME: 3-methylbenzene-1,2-diamine
CAS Name: 3-methylbenzene-1,2-diamine
IUPAC NAME: 3-methylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methylbenzene-1,2-diamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=C(C(=CC=C1)N)N
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Product OPENEYE NAME: N-[4-(4-aminophenoxy)phenyl]acetamide
CAS Name: N-[4-(4-aminophenoxy)phenyl]acetamide
IUPAC NAME: N-[4-(4-aminophenoxy)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-azanylphenoxy)phenyl]ethanamide
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)N
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Product OPENEYE NAME: 1-ethylpyrrolidin-2-one
CAS Name: 1-ethyl-2-pyrrolidinone
IUPAC NAME: 1-ethylpyrrolidin-2-one
SYSTEMATIC NAME: 1-ethylpyrrolidin-2-one
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CCN1CCCC1=O
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Product OPENEYE NAME: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
CAS Name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
IUPAC NAME: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
SYSTEMATIC NAME: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
MOLECULAR FORMULA: C4H8N8O8
MOLECULAR WEIGHT: 296.15512
SMILES: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]ammonium diiodide
CAS Name: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]ammonium diiodide
IUPAC NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]azanium diiodide
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]azanium diiodide
MOLECULAR FORMULA: C28H42F2I2N4O2
MOLECULAR WEIGHT: 758.464426
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1F)CC2=CC=CC=C2F.[I-].[I-]
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Product OPENEYE NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]ammonium
CAS Name: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]ammonium
IUPAC NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C28H42F2N4O2+2
MOLECULAR WEIGHT: 504.655486
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1F)CC2=CC=CC=C2F
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Product OPENEYE NAME: fluoranthen-3-amine
CAS Name: 3-fluoranthenamine
IUPAC NAME: fluoranthen-3-amine
SYSTEMATIC NAME: fluoranthen-3-amine
MOLECULAR FORMULA: C16H11N
MOLECULAR WEIGHT: 217.26524
SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N
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Product OPENEYE NAME: (17S)-10,13,17-trimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (17S)-10,13,17-trimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (17S)-10,13,17-trimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (17S)-10,13,17-trimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@@]1(CCC2C1(CCC3C2CC=C4C3(C=CC(C4)O)C)C)O
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Product OPENEYE NAME: nitrosyl chloride
CAS Name: nitrosyl chloride
IUPAC NAME: nitrosyl chloride
SYSTEMATIC NAME: nitrosyl chloride
MOLECULAR FORMULA: ClNO
MOLECULAR WEIGHT: 65.4591
SMILES: N(=O)Cl
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Product OPENEYE NAME: methyl propane-1-sulfonate
CAS Name: 1-propanesulfonic acid
IUPAC NAME: methyl propane-1-sulfonate
SYSTEMATIC NAME: methyl propane-1-sulfonate
MOLECULAR FORMULA: C4H10O3S
MOLECULAR WEIGHT: 138.1854
SMILES: CCCS(=O)(=O)OC
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Product OPENEYE NAME: ethyl 2-(4-chloro-2-methyl-phenoxy)acetate
CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(4-chloro-2-methylphenoxy)acetate
SYSTEMATIC NAME: ethyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CCOC(=O)COC1=C(C=C(C=C1)Cl)C
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Product OPENEYE NAME: 2-[(2-chlorophenyl)methylene]propanedinitrile
CAS Name: 2-[(2-chlorophenyl)methylidene]propanedinitrile
IUPAC NAME: 2-[(2-chlorophenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C10H5ClN2
MOLECULAR WEIGHT: 188.6131
SMILES: C1=CC=C(C(=C1)C=C(C#N)C#N)Cl
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Product OPENEYE NAME: 2-[(2-bromophenyl)methylene]propanedinitrile
CAS Name: 2-[(2-bromophenyl)methylidene]propanedinitrile
IUPAC NAME: 2-[(2-bromophenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2-bromophenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C10H5BrN2
MOLECULAR WEIGHT: 233.0641
SMILES: C1=CC=C(C(=C1)C=C(C#N)C#N)Br
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Product OPENEYE NAME: 2-[(2-fluorophenyl)methylene]propanedinitrile
CAS Name: 2-[(2-fluorophenyl)methylidene]propanedinitrile
IUPAC NAME: 2-[(2-fluorophenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2-fluorophenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C10H5FN2
MOLECULAR WEIGHT: 172.158503
SMILES: C1=CC=C(C(=C1)C=C(C#N)C#N)F
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Product OPENEYE NAME: sulfuryl fluoride
CAS Name: sulfuryl difluoride
IUPAC NAME: sulfuryl difluoride
SYSTEMATIC NAME: sulfuryl difluoride
MOLECULAR FORMULA: F2O2S
MOLECULAR WEIGHT: 102.060606
SMILES: O=S(=O)(F)F
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Product OPENEYE NAME: 2-benzylidenepropanedinitrile
CAS Name: 2-(phenylmethylene)propanedinitrile
IUPAC NAME: 2-benzylidenepropanedinitrile
SYSTEMATIC NAME: 2-(phenylmethylidene)propanedinitrile
MOLECULAR FORMULA: C10H6N2
MOLECULAR WEIGHT: 154.16804
SMILES: C1=CC=C(C=C1)C=C(C#N)C#N
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Product OPENEYE NAME: (2R)-17-acetyl-2,10,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CAS Name: (2R)-17-acetyl-2,10,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
IUPAC NAME: (2R)-17-acetyl-2,10,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (2R)-17-ethanoyl-2,10,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: C[C@@H]1CC2(C3C(CCC2=CC1=O)C4CCC(C4(CC3=O)C)C(=O)C)C
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Product OPENEYE NAME: ethoxy-methyl-(4-methylsulfanylphenoxy)-thioxo-$l^{5}-phosphane
CAS Name: ethoxy-methyl-[4-(methylthio)phenoxy]-sulfanylidenephosphorane
IUPAC NAME: ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H15O2PS2
MOLECULAR WEIGHT: 262.328661
SMILES: CCOP(=S)(C)OC1=CC=C(C=C1)SC
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Product OPENEYE NAME: 3-chloro-1-isopropoxy-butane
CAS Name: 3-chloro-1-propan-2-yloxybutane
IUPAC NAME: 3-chloro-1-propan-2-yloxybutane
SYSTEMATIC NAME: 3-chloranyl-1-propan-2-yloxy-butane
MOLECULAR FORMULA: C7H15ClO
MOLECULAR WEIGHT: 150.6464
SMILES: CC(C)OCCC(C)Cl
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Product OPENEYE NAME: 2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetaldehyde
CAS Name: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde
IUPAC NAME: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde
SYSTEMATIC NAME: 2-(3-ethanoyl-2,2-dimethyl-cyclobutyl)ethanal
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=O)C1CC(C1(C)C)CC=O
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Product OPENEYE NAME: allyl 3-cyclohexylpropanoate
CAS Name: 3-cyclohexylpropanoic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl 3-cyclohexylpropanoate
SYSTEMATIC NAME: prop-2-enyl 3-cyclohexylpropanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: C=CCOC(=O)CCC1CCCCC1
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