Product OPENEYE NAME: 2-(2-bromoethyl)-6-chloro-1,3-dioxo-isoindoline-5-sulfonamide
CAS Name: 2-(2-bromoethyl)-6-chloro-1,3-dioxo-5-isoindolesulfonamide
IUPAC NAME: 2-(2-bromoethyl)-6-chloro-1,3-dioxoisoindole-5-sulfonamide
SYSTEMATIC NAME: 2-(2-bromoethyl)-6-chloranyl-1,3-bis(oxidanylidene)isoindole-5-sulfonamide
MOLECULAR FORMULA: C10H8BrClN2O4S
MOLECULAR WEIGHT: 367.60352
SMILES: C1=C2C(=CC(=C1S(=O)(=O)N)Cl)C(=O)N(C2=O)CCBr
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Product OPENEYE NAME: dibutyl-[3-(2-ethoxy-5-fluoro-benzoyl)oxypropyl]ammonium chloride
CAS Name: dibutyl-[3-[(2-ethoxy-5-fluorophenyl)-oxomethoxy]propyl]ammonium chloride
IUPAC NAME: dibutyl-[3-(2-ethoxy-5-fluorobenzoyl)oxypropyl]azanium chloride
SYSTEMATIC NAME: dibutyl-[3-(2-ethoxy-5-fluoranyl-phenyl)carbonyloxypropyl]azanium chloride
MOLECULAR FORMULA: C20H33ClFNO3
MOLECULAR WEIGHT: 389.932323
SMILES: CCCC[NH+](CCCC)CCCOC(=O)C1=C(C=CC(=C1)F)OCC.[Cl-]
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Product OPENEYE NAME: 3-(dibutylamino)propyl 2-ethoxy-5-fluoro-benzoate
CAS Name: 2-ethoxy-5-fluorobenzoic acid 3-(dibutylamino)propyl ester
IUPAC NAME: 3-(dibutylamino)propyl 2-ethoxy-5-fluorobenzoate
SYSTEMATIC NAME: 3-(dibutylamino)propyl 2-ethoxy-5-fluoranyl-benzoate
MOLECULAR FORMULA: C20H32FNO3
MOLECULAR WEIGHT: 353.471383
SMILES: CCCCN(CCCC)CCCOC(=O)C1=C(C=CC(=C1)F)OCC
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Product OPENEYE NAME: dibutyl-[3-(4-ethoxy-3-fluoro-benzoyl)oxypropyl]ammonium chloride
CAS Name: dibutyl-[3-[(4-ethoxy-3-fluorophenyl)-oxomethoxy]propyl]ammonium chloride
IUPAC NAME: dibutyl-[3-(4-ethoxy-3-fluorobenzoyl)oxypropyl]azanium chloride
SYSTEMATIC NAME: dibutyl-[3-(4-ethoxy-3-fluoranyl-phenyl)carbonyloxypropyl]azanium chloride
MOLECULAR FORMULA: C20H33ClFNO3
MOLECULAR WEIGHT: 389.932323
SMILES: CCCC[NH+](CCCC)CCCOC(=O)C1=CC(=C(C=C1)OCC)F.[Cl-]
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Product OPENEYE NAME: 3-(dibutylamino)propyl 4-ethoxy-3-fluoro-benzoate
CAS Name: 4-ethoxy-3-fluorobenzoic acid 3-(dibutylamino)propyl ester
IUPAC NAME: 3-(dibutylamino)propyl 4-ethoxy-3-fluorobenzoate
SYSTEMATIC NAME: 3-(dibutylamino)propyl 4-ethoxy-3-fluoranyl-benzoate
MOLECULAR FORMULA: C20H32FNO3
MOLECULAR WEIGHT: 353.471383
SMILES: CCCCN(CCCC)CCCOC(=O)C1=CC(=C(C=C1)OCC)F
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Product OPENEYE NAME: 2-(2-ethoxy-5-fluoro-benzoyl)oxyethyl-diethyl-ammonium chloride
CAS Name: 2-[(2-ethoxy-5-fluorophenyl)-oxomethoxy]ethyl-diethylammonium chloride
IUPAC NAME: 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-(2-ethoxy-5-fluoranyl-phenyl)carbonyloxyethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C15H23ClFNO3
MOLECULAR WEIGHT: 319.799423
SMILES: CC[NH+](CC)CCOC(=O)C1=C(C=CC(=C1)F)OCC.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl 2-ethoxy-5-fluoro-benzoate
CAS Name: 2-ethoxy-5-fluorobenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 2-ethoxy-5-fluorobenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-ethoxy-5-fluoranyl-benzoate
MOLECULAR FORMULA: C15H22FNO3
MOLECULAR WEIGHT: 283.338483
SMILES: CCN(CC)CCOC(=O)C1=C(C=CC(=C1)F)OCC
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Product OPENEYE NAME: (6S,9R,11S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (6S,9R,11S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,9R,11S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,9R,11S,16R,17R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H30F2O5
MOLECULAR WEIGHT: 412.467406
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)CCC4([C@]3([C@H](CC2([C@]1(C(=O)CO)O)C)O)F)C)F
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Product OPENEYE NAME: 12-fluorododecan-6-one
CAS Name: 12-fluoro-6-dodecanone
IUPAC NAME: 12-fluorododecan-6-one
SYSTEMATIC NAME: 12-fluoranyldodecan-6-one
MOLECULAR FORMULA: C12H23FO
MOLECULAR WEIGHT: 202.308823
SMILES: CCCCCC(=O)CCCCCCF
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C17H17ClFN
MOLECULAR WEIGHT: 289.774983
SMILES: C[NH+]1CCC2=CC=CC3=C2[C@@H]1CC4=C3C=C(C=C4)F.[Cl-]
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C17H16FN
MOLECULAR WEIGHT: 253.314043
SMILES: CN1CCC2=CC=CC3=C2[C@@H]1CC4=C3C=C(C=C4)F
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Product OPENEYE NAME: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
CAS Name: 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1,4-diazepan-1-yl]ethanol
IUPAC NAME: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
MOLECULAR FORMULA: C23H28F3N3OS
MOLECULAR WEIGHT: 451.54813
SMILES: C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
CAS Name: heptanoic acid [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
SYSTEMATIC NAME: [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
MOLECULAR FORMULA: C27H38O3
MOLECULAR WEIGHT: 410.58882
SMILES: CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3C2CCC4=CC(=O)CC[C@H]34)C)C#C
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Product OPENEYE NAME: 4-(3-ethoxyphenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(3-ethoxyphenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(3-ethoxyphenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(3-ethoxyphenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H19N3O
MOLECULAR WEIGHT: 269.34156
SMILES: CCOC1=CC=CC(=C1)N=NC2=CC=C(C=C2)N(C)C
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Product OPENEYE NAME: N,N-dimethyl-4-(3-nitrophenyl)azo-aniline
CAS Name: N,N-dimethyl-4-(3-nitrophenyl)azoaniline
IUPAC NAME: N,N-dimethyl-4-[(3-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(3-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-chlorocyclohepta-2,4,6-trien-1-one
CAS Name: 2-chloro-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-chlorocyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-chloranylcyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C7H5ClO
MOLECULAR WEIGHT: 140.567
SMILES: C1=CC=C(C(=O)C=C1)Cl
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Product OPENEYE NAME: 2-(2-methylphenoxy)aniline
CAS Name: 2-(2-methylphenoxy)aniline
IUPAC NAME: 2-(2-methylphenoxy)aniline
SYSTEMATIC NAME: 2-(2-methylphenoxy)aniline
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: CC1=CC=CC=C1OC2=CC=CC=C2N
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Product OPENEYE NAME: 1,1-diethoxy-3-methyl-butane
CAS Name: 1,1-diethoxy-3-methylbutane
IUPAC NAME: 1,1-diethoxy-3-methylbutane
SYSTEMATIC NAME: 1,1-diethoxy-3-methyl-butane
MOLECULAR FORMULA: C9H20O2
MOLECULAR WEIGHT: 160.2539
SMILES: CCOC(CC(C)C)OCC
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Product OPENEYE NAME: 4-chloro-N,6-diphenyl-1,3,5-triazin-2-amine
CAS Name: 4-chloro-N,6-diphenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4-chloro-N,6-diphenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-chloranyl-N,6-diphenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C15H11ClN4
MOLECULAR WEIGHT: 282.72764
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)NC3=CC=CC=C3
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Product OPENEYE NAME: 4-chloro-6-phenyl-1,3,5-triazin-2-amine
CAS Name: 4-chloro-6-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4-chloro-6-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-chloranyl-6-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C9H7ClN4
MOLECULAR WEIGHT: 206.63168
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)N
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Product OPENEYE NAME: 2-chloro-4,6-diphenyl-1,3,5-triazine
CAS Name: 2-chloro-4,6-diphenyl-1,3,5-triazine
IUPAC NAME: 2-chloro-4,6-diphenyl-1,3,5-triazine
SYSTEMATIC NAME: 2-chloranyl-4,6-diphenyl-1,3,5-triazine
MOLECULAR FORMULA: C15H10ClN3
MOLECULAR WEIGHT: 267.713
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(o-tolylazomethyl)propanedinitrile
CAS Name: 2-[(2-methylphenyl)azomethyl]propanedinitrile
IUPAC NAME: 2-[[(2-methylphenyl)diazenyl]methyl]propanedinitrile
SYSTEMATIC NAME: 2-[[(2-methylphenyl)diazenyl]methyl]propanedinitrile
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 198.2239
SMILES: CC1=CC=CC=C1N=NCC(C#N)C#N
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Product OPENEYE NAME: disodium 2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
CAS Name: disodium 2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonate
IUPAC NAME: disodium 2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
MOLECULAR FORMULA: C37H34N2Na2O9S3
MOLECULAR WEIGHT: 792.8484
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitroso-urea
CAS Name: 1-methyl-3-[[[methyl(nitroso)amino]-oxomethyl]amino]-1-nitrosourea
IUPAC NAME: 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
SYSTEMATIC NAME: 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitroso-urea
MOLECULAR FORMULA: C4H8N6O4
MOLECULAR WEIGHT: 204.14412
SMILES: CN(C(=O)NNC(=O)N(C)N=O)N=O
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