CAS RN: 10184-96-0
CAS Name: 2-(1H-indol-3-ylmethylidene)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(1H-indol-3-ylmethylene)propanedioate
IUPAC Name: diethyl 2-(1H-indol-3-ylmethylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(1H-indol-3-ylmethylidene)propanedioate
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C(=O)OCC
Structure:
CAS RN: 33965-85-4
CAS Name: 1-chloro-4-(phenyldisulfanyl)benzene
OPENEYE Name: 1-chloro-4-(phenyldisulfanyl)benzene
IUPAC Name: 1-chloro-4-(phenyldisulfanyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(phenyldisulfanyl)benzene
MOLECULAR FORMULA: C12H9ClS2
MOLECULAR WEIGHT: 252.78286
SMILES: C1=CC=C(C=C1)SSC2=CC=C(C=C2)Cl
Structure:
CAS RN: 75974-47-9
CAS Name: 1-hydroxy-3-(2-phenylethyl)-4-pyridinimine
OPENEYE Name: 1-hydroxy-3-(2-phenylethyl)pyridin-4-imine
IUPAC Name: 1-hydroxy-3-(2-phenylethyl)pyridin-4-imine
SYSTEMATIC NAME: 1-oxidanyl-3-(2-phenylethyl)pyridin-4-imine
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: C1=CC=C(C=C1)CCC2=CN(C=CC2=N)O
Structure:
CAS RN: 6635-91-2
CAS Name: 6-methoxy-4-methyl-3-pyridinamine
OPENEYE Name: 6-methoxy-4-methyl-pyridin-3-amine
IUPAC Name: 6-methoxy-4-methylpyridin-3-amine
SYSTEMATIC NAME: 6-methoxy-4-methyl-pyridin-3-amine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=CC(=NC=C1N)OC
Structure:
CAS RN: 6635-88-7
CAS Name: 2-(1-oxido-3-pyridin-1-iumyl)acetonitrile
OPENEYE Name: 2-(1-oxidopyridin-1-ium-3-yl)acetonitrile
IUPAC Name: 2-(1-oxidopyridin-1-ium-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(1-oxidanidylpyridin-1-ium-3-yl)ethanenitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC(=C[N+](=C1)[O-])CC#N
Structure:
CAS RN: 21901-40-6
CAS Name: 4-methyl-5-nitro-2-pyridinamine
OPENEYE Name: 4-methyl-5-nitro-pyridin-2-amine
IUPAC Name: 4-methyl-5-nitropyridin-2-amine
SYSTEMATIC NAME: 4-methyl-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: CC1=CC(=NC=C1[N+](=O)[O-])N
Structure:
CAS RN: 92580-99-9
CAS Name: 9-(2-methylpropyl)-6-(2-pyridinylmethylthio)-2-purinamine
OPENEYE Name: 9-isobutyl-6-(2-pyridylmethylsulfanyl)purin-2-amine
IUPAC Name: 9-(2-methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine
SYSTEMATIC NAME: 9-(2-methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine
MOLECULAR FORMULA: C15H18N6S
MOLECULAR WEIGHT: 314.40862
SMILES: CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=N3)N
Structure:
CAS RN: 5020-83-7
CAS Name: 2-amino-6-(butylamino)-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-6-(butylamino)-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-(butylamino)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-(butylamino)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H14N4O
MOLECULAR WEIGHT: 182.22296
SMILES: CCCCNC1=CC(=O)N=C(N1)N
Structure:
CAS RN: 3109-01-1
CAS Name: (8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,16S)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C20H25FO3
MOLECULAR WEIGHT: 332.409103
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(C1=O)C)O)F)C
Structure:
CAS RN: 74399-96-5
CAS Name: 2-[(4-nitrophenyl)methylthio]acetic acid methyl ester
OPENEYE Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
IUPAC Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate
MOLECULAR FORMULA: C10H11NO4S
MOLECULAR WEIGHT: 241.26364
SMILES: COC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 5629-32-3
CAS Name: 2-[(4-nitrophenyl)methylthio]acetic acid methyl ester
OPENEYE Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
IUPAC Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate
MOLECULAR FORMULA: C10H11NO4S
MOLECULAR WEIGHT: 241.26364
SMILES: COC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 1055-69-2
CAS Name: 1-methyl-3-(1-methyl-2,3-dihydroindol-2-yl)indole
OPENEYE Name: 1-methyl-3-(1-methylindolin-2-yl)indole
IUPAC Name: 1-methyl-3-(1-methyl-2,3-dihydroindol-2-yl)indole
SYSTEMATIC NAME: 1-methyl-3-(1-methyl-2,3-dihydroindol-2-yl)indole
MOLECULAR FORMULA: C18H18N2
MOLECULAR WEIGHT: 262.34892
SMILES: CN1C=C(C2=CC=CC=C21)C3CC4=CC=CC=C4N3C
Structure:
CAS RN: 6637-03-2
CAS Name: 1-tert-butyl-4-nitrosobenzene
OPENEYE Name: 1-tert-butyl-4-nitroso-benzene
IUPAC Name: 1-tert-butyl-4-nitrosobenzene
SYSTEMATIC NAME: 1-tert-butyl-4-nitroso-benzene
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC(C)(C)C1=CC=C(C=C1)N=O
Structure:
CAS RN: 672-47-9
CAS Name: 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
OPENEYE Name: 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
IUPAC Name: 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 4-oxidanyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C5H3F3N2O2
MOLECULAR WEIGHT: 180.08473
SMILES: C1=C(N=C(NC1=O)C(F)(F)F)O
Structure:
CAS RN: 56252-51-8
CAS Name: 2-chloro-N-[chloro(chloromethyl)phosphoryl]-N-(2-chloroethyl)ethanamine
OPENEYE Name: 2-chloro-N-[chloro(chloromethyl)phosphoryl]-N-(2-chloroethyl)ethanamine
IUPAC Name: 2-chloro-N-[chloro(chloromethyl)phosphoryl]-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-[chloranyl(chloromethyl)phosphoryl]-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C5H10Cl4NOP
MOLECULAR WEIGHT: 272.924761
SMILES: C(CCl)N(CCCl)P(=O)(CCl)Cl
Structure:
CAS RN: 76044-19-4
CAS Name: 1-(2-chloroanilino)-1-cyclopentanecarboxamide
OPENEYE Name: 1-(2-chloroanilino)cyclopentanecarboxamide
IUPAC Name: 1-(2-chloroanilino)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-[(2-chlorophenyl)amino]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C1CCC(C1)(C(=O)N)NC2=CC=CC=C2Cl
Structure:
CAS RN: 760-40-7
CAS Name: 1-(2-chloroanilino)-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-(2-chloroanilino)cyclopentanecarboxylic acid
IUPAC Name: 1-(2-chloroanilino)cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(2-chlorophenyl)amino]cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C12H14ClNO2
MOLECULAR WEIGHT: 239.69806
SMILES: C1CCC(C1)(C(=O)O)NC2=CC=CC=C2Cl
Structure:
CAS RN: 76033-80-2
CAS Name: 1-(4-methylanilino)-1-cyclopentanecarboxamide
OPENEYE Name: 1-(4-methylanilino)cyclopentanecarboxamide
IUPAC Name: 1-(4-methylanilino)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-[(4-methylphenyl)amino]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1=CC=C(C=C1)NC2(CCCC2)C(=O)N
Structure:
CAS RN: 76025-75-7
CAS Name: 1-(4-methylanilino)-1-cyclopentanecarbonitrile
OPENEYE Name: 1-(4-methylanilino)cyclopentanecarbonitrile
IUPAC Name: 1-(4-methylanilino)cyclopentane-1-carbonitrile
SYSTEMATIC NAME: 1-[(4-methylphenyl)amino]cyclopentane-1-carbonitrile
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CC1=CC=C(C=C1)NC2(CCCC2)C#N
Structure:
CAS RN: 76020-75-2
CAS Name: 1-(2-naphthalenylamino)-1-cyclopentanecarbonitrile
OPENEYE Name: 1-(2-naphthylamino)cyclopentanecarbonitrile
IUPAC Name: 1-(naphthalen-2-ylamino)cyclopentane-1-carbonitrile
SYSTEMATIC NAME: 1-(naphthalen-2-ylamino)cyclopentane-1-carbonitrile
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: C1CCC(C1)(C#N)NC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 5585-14-8
CAS Name: 2-oxido-3,4-diphenyl-1,2,5-oxadiazol-2-ium
OPENEYE Name: 2-oxido-3,4-diphenyl-1,2,5-oxadiazol-2-ium
IUPAC Name: 2-oxido-3,4-diphenyl-1,2,5-oxadiazol-2-ium
SYSTEMATIC NAME: 2-oxidanidyl-3,4-diphenyl-1,2,5-oxadiazol-2-ium
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C(C=C1)C2=NO[N+](=C2C3=CC=CC=C3)[O-]
Structure:
CAS RN: 54118-75-1
CAS Name: N-(4-nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine
OPENEYE Name: N-(4-nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine
IUPAC Name: N-(4-nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine
SYSTEMATIC NAME: N-(4-nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: C1CC(=C2C=CC=CC2=C1NO)N=O
Structure:
CAS RN: 6635-42-3
CAS Name: (1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
OPENEYE Name: (1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
IUPAC Name: (1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]diazane
MOLECULAR FORMULA: C7H7N3O2S
MOLECULAR WEIGHT: 197.21438
SMILES: C1=CC=C2C(=C1)C(=NS2(=O)=O)NN
Structure:
CAS RN: 943-14-6
CAS Name: 2-bromo-5-nitrobenzoic acid
OPENEYE Name: 2-bromo-5-nitro-benzoic acid
IUPAC Name: 2-bromo-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-bromanyl-5-nitro-benzoic acid
MOLECULAR FORMULA: C7H4BrNO4
MOLECULAR WEIGHT: 246.01496
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Structure:
CAS RN: 6635-31-0
CAS Name: 5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
OPENEYE Name: 5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
IUPAC Name: 5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-nitro-6-oxidanylidene-1H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H4N2O5
MOLECULAR WEIGHT: 184.10636
SMILES: C1=C(C(=O)NC=C1C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 6945-67-1
CAS Name: 2-bromo-4-nitropyridine
OPENEYE Name: 2-bromo-4-nitro-pyridine
IUPAC Name: 2-bromo-4-nitropyridine
SYSTEMATIC NAME: 2-bromanyl-4-nitro-pyridine
MOLECULAR FORMULA: C5H3BrN2O2
MOLECULAR WEIGHT: 202.99352
SMILES: C1=CN=C(C=C1[N+](=O)[O-])Br
Structure:
CAS RN: 91284-27-4
CAS Name: acetic acid 1,3-diphenoxypropan-2-yl ester
OPENEYE Name: [2-phenoxy-1-(phenoxymethyl)ethyl] acetate
IUPAC Name: 1,3-diphenoxypropan-2-yl acetate
SYSTEMATIC NAME: 1,3-diphenoxypropan-2-yl ethanoate
MOLECULAR FORMULA: C17H18O4
MOLECULAR WEIGHT: 286.32242
SMILES: CC(=O)OC(COC1=CC=CC=C1)COC2=CC=CC=C2
Structure:
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