CAS RN: 26974-15-2
CAS Name: 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
OPENEYE Name: 3-(p-tolyl)-5-(trifluoromethyl)-1H-pyrazole
IUPAC Name: 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SYSTEMATIC NAME: 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
MOLECULAR FORMULA: C11H9F3N2
MOLECULAR WEIGHT: 226.19777
SMILES: CC1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F
Structure:
CAS RN: 70395-06-1
CAS Name: 2-chloro-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone
OPENEYE Name: 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C12H14Cl2N2O
MOLECULAR WEIGHT: 273.15836
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCl
Structure:
CAS RN: 86886-81-9
CAS Name: 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide
OPENEYE Name: 3,4-dichloro-N-(2-hydroxy-5-nitro-phenyl)benzamide
IUPAC Name: 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-(5-nitro-2-oxidanyl-phenyl)benzamide
MOLECULAR FORMULA: C13H8Cl2N2O4
MOLECULAR WEIGHT: 327.11962
SMILES: C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)Cl
Structure:
CAS RN: 71607-42-6
CAS Name: 5-(2,4-dinitroanilino)-2-hydroxybenzenesulfonic acid
OPENEYE Name: 5-(2,4-dinitroanilino)-2-hydroxy-benzenesulfonic acid
IUPAC Name: 5-(2,4-dinitroanilino)-2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 5-[(2,4-dinitrophenyl)amino]-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C12H9N3O8S
MOLECULAR WEIGHT: 355.28016
SMILES: C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O)O
Structure:
CAS RN: 146944-27-6
CAS Name: 2-[4-(phenylmethyl)-2-morpholinyl]acetic acid
OPENEYE Name: 2-(4-benzylmorpholin-2-yl)acetic acid
IUPAC Name: 2-(4-benzylmorpholin-2-yl)acetic acid
SYSTEMATIC NAME: 2-[4-(phenylmethyl)morpholin-2-yl]ethanoic acid
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C1COC(CN1CC2=CC=CC=C2)CC(=O)O
Structure:
CAS RN: 6238-39-7
CAS Name: 2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4-methylpentanoic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4-methyl-pentanoate
IUPAC Name: ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylpentanoate
SYSTEMATIC NAME: ethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CCOC(=O)C(CC(C)C)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 540516-28-7
CAS Name: (6-bromo-1H-benzimidazol-2-yl)methanol
OPENEYE Name: (6-bromo-1H-benzimidazol-2-yl)methanol
IUPAC Name: (6-bromo-1H-benzimidazol-2-yl)methanol
SYSTEMATIC NAME: (6-bromanyl-1H-benzimidazol-2-yl)methanol
MOLECULAR FORMULA: C8H7BrN2O
MOLECULAR WEIGHT: 227.05798
SMILES: C1=CC2=C(C=C1Br)NC(=N2)CO
Structure:
CAS RN: 21095-64-7
CAS Name: 2-phenyl-1,3-benzoxazole-5-carboxylic acid
OPENEYE Name: 2-phenyl-1,3-benzoxazole-5-carboxylic acid
IUPAC Name: 2-phenyl-1,3-benzoxazole-5-carboxylic acid
SYSTEMATIC NAME: 2-phenyl-1,3-benzoxazole-5-carboxylic acid
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)O
Structure:
CAS RN: 51105-00-1
CAS Name: 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
OPENEYE Name: 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
IUPAC Name: 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
SYSTEMATIC NAME: 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
MOLECULAR FORMULA: C18H38O6
MOLECULAR WEIGHT: 350.49072
SMILES: CCCCOCCOCCOCCOCCOCCOCCCC
Structure:
CAS RN: 247564-71-2
CAS Name: (2,3,6-trifluorophenyl)boronic acid
OPENEYE Name: (2,3,6-trifluorophenyl)boronic acid
IUPAC Name: (2,3,6-trifluorophenyl)boronic acid
SYSTEMATIC NAME: [2,3,6-tris(fluoranyl)phenyl]boronic acid
MOLECULAR FORMULA: C6H4BF3O2
MOLECULAR WEIGHT: 175.90097
SMILES: B(C1=C(C=CC(=C1F)F)F)(O)O
Structure:
CAS RN: 363-34-8
CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(2-fluorobenzoyl)amino]acetate
IUPAC Name: 2-[(2-fluorobenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(2-fluorophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C9H7FNO3-
MOLECULAR WEIGHT: 196.155183
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)[O-])F
Structure:
CAS RN: 33955-17-8
CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetate
OPENEYE Name: 2-(thiophene-2-carbonylamino)acetate
IUPAC Name: 2-(thiophene-2-carbonylamino)acetate
SYSTEMATIC NAME: 2-(thiophen-2-ylcarbonylamino)ethanoate
MOLECULAR FORMULA: C7H6NO3S-
MOLECULAR WEIGHT: 184.19244
SMILES: C1=CSC(=C1)C(=O)NCC(=O)[O-]
Structure:
CAS RN: 81568-83-4
CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(2-bromobenzoyl)amino]acetate
IUPAC Name: 2-[(2-bromobenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(2-bromophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C9H7BrNO3-
MOLECULAR WEIGHT: 257.06078
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)[O-])Br
Structure:
CAS RN: 885965-89-9
CAS Name: 2-(3,4-difluorophenyl)ethanimidamide
OPENEYE Name: 2-(3,4-difluorophenyl)acetamidine
IUPAC Name: 2-(3,4-difluorophenyl)ethanimidamide
SYSTEMATIC NAME: 2-[3,4-bis(fluoranyl)phenyl]ethanimidamide
MOLECULAR FORMULA: C8H8F2N2
MOLECULAR WEIGHT: 170.159326
SMILES: C1=CC(=C(C=C1CC(=N)N)F)F
Structure:
CAS RN: 70201-54-6
CAS Name: 1-(2-propan-2-yloxyphenyl)ethanone
OPENEYE Name: 1-(2-isopropoxyphenyl)ethanone
IUPAC Name: 1-(2-propan-2-yloxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-propan-2-yloxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)OC1=CC=CC=C1C(=O)C
Structure:
CAS RN: 219312-93-3
CAS Name: 2-(methoxymethyl)-3-methyl-1-cyclohexanone
OPENEYE Name: 2-(methoxymethyl)-3-methyl-cyclohexanone
IUPAC Name: 2-(methoxymethyl)-3-methylcyclohexan-1-one
SYSTEMATIC NAME: 2-(methoxymethyl)-3-methyl-cyclohexan-1-one
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC1CCCC(=O)C1COC
Structure:
CAS RN: 108763-20-8
CAS Name: 2-amino-2-(6-quinolinyl)acetic acid
OPENEYE Name: 2-amino-2-(6-quinolyl)acetic acid
IUPAC Name: 2-amino-2-quinolin-6-ylacetic acid
SYSTEMATIC NAME: 2-azanyl-2-quinolin-6-yl-ethanoic acid
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C1=CC2=C(C=CC(=C2)C(C(=O)O)N)N=C1
Structure:
CAS RN: 63388-01-2
CAS Name: 3-(2-hydroxyethyl)-1H-benzimidazol-2-one
OPENEYE Name: 3-(2-hydroxyethyl)-1H-benzimidazol-2-one
IUPAC Name: 3-(2-hydroxyethyl)-1H-benzimidazol-2-one
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-1H-benzimidazol-2-one
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: C1=CC=C2C(=C1)NC(=O)N2CCO
Structure:
CAS RN: 20191-74-6
CAS Name: 2-ethyl-5-nitroaniline
OPENEYE Name: 2-ethyl-5-nitro-aniline
IUPAC Name: 2-ethyl-5-nitroaniline
SYSTEMATIC NAME: 2-ethyl-5-nitro-aniline
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CCC1=C(C=C(C=C1)[N+](=O)[O-])N
Structure:
CAS RN: 35274-18-1
CAS Name: N-(4-chlorophenyl)propanethioamide
OPENEYE Name: N-(4-chlorophenyl)propanethioamide
IUPAC Name: N-(4-chlorophenyl)propanethioamide
SYSTEMATIC NAME: N-(4-chlorophenyl)propanethioamide
MOLECULAR FORMULA: C9H10ClNS
MOLECULAR WEIGHT: 199.7004
SMILES: CCC(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 89704-51-8
CAS Name: 2-methoxy-5-(1-pyrrolidinylsulfonyl)benzoate
OPENEYE Name: 2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoate
IUPAC Name: 2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoate
SYSTEMATIC NAME: 2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoate
MOLECULAR FORMULA: C12H14NO5S-
MOLECULAR WEIGHT: 284.30826
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)[O-]
Structure:
CAS RN: 168890-59-3
CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoate
OPENEYE Name: 2-methoxy-5-morpholinosulfonyl-benzoate
IUPAC Name: 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
SYSTEMATIC NAME: 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate
MOLECULAR FORMULA: C12H14NO6S-
MOLECULAR WEIGHT: 300.30766
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)[O-]
Structure:
CAS RN: 25764-78-7
CAS Name: 2-chloro-N-cyclopropyl-3-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-cyclopropyl-pyridine-3-carboxamide
IUPAC Name: 2-chloro-N-cyclopropylpyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclopropyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: C1CC1NC(=O)C2=C(N=CC=C2)Cl
Structure:
CAS RN: 64276-62-6
CAS Name: 4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-phenyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 4-phenyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-phenyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CCOC(=O)C1=CNC=C1C2=CC=CC=C2
Structure:
CAS RN: 79893-19-9
CAS Name: 5-acetamido-2-methoxybenzoic acid methyl ester
OPENEYE Name: methyl 5-acetamido-2-methoxy-benzoate
IUPAC Name: methyl 5-acetamido-2-methoxybenzoate
SYSTEMATIC NAME: methyl 5-acetamido-2-methoxy-benzoate
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)C(=O)OC
Structure:
CAS RN: 52133-67-2
CAS Name: 2-cyano-4,4-diethoxybutanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-4,4-diethoxy-butanoate
IUPAC Name: ethyl 2-cyano-4,4-diethoxybutanoate
SYSTEMATIC NAME: ethyl 2-cyano-4,4-diethoxy-butanoate
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CCOC(CC(C#N)C(=O)OCC)OCC
Structure:
CAS RN: 306305-35-1
CAS Name: 4-(4-nitrophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylate
IUPAC Name: ethyl 1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-nitrophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CCOC(=O)C1CN(CC1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3
Structure:
CAS RN: 876317-19-0
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonyl-4-oxo-pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H15NO5
MOLECULAR WEIGHT: 229.2298
SMILES: CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O
Structure:
CAS RN: 3137-54-0
CAS Name: 6-hydrazinyl-5-nitro-4-pyrimidinamine
OPENEYE Name: 6-hydrazino-5-nitro-pyrimidin-4-amine
IUPAC Name: 6-hydrazinyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 6-diazanyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C4H6N6O2
MOLECULAR WEIGHT: 170.12944
SMILES: C1=NC(=C(C(=N1)NN)[N+](=O)[O-])N
Structure:
CAS RN: 13718-26-8
CAS Name: sodium oxido(dioxo)vanadium
OPENEYE Name: sodium oxido(dioxo)vanadium
IUPAC Name: sodium oxido(dioxo)vanadium
SYSTEMATIC NAME: sodium oxidanidyl-bis(oxidanylidene)vanadium
MOLECULAR FORMULA: NaO3V
MOLECULAR WEIGHT: 121.92947
SMILES: [O-][V](=O)=O.[Na+]
Structure:
CAS RN: 12436-25-8
CAS Name: sodium oxido(dioxo)vanadium
OPENEYE Name: sodium oxido(dioxo)vanadium
IUPAC Name: sodium oxido(dioxo)vanadium
SYSTEMATIC NAME: sodium oxidanidyl-bis(oxidanylidene)vanadium
MOLECULAR FORMULA: NaO3V
MOLECULAR WEIGHT: 121.92947
SMILES: [O-][V](=O)=O.[Na+]
Structure:
CAS RN: 96530-59-5
CAS Name: 1-(4-iodophenyl)piperazine
OPENEYE Name: 1-(4-iodophenyl)piperazine
IUPAC Name: 1-(4-iodophenyl)piperazine
SYSTEMATIC NAME: 1-(4-iodophenyl)piperazine
MOLECULAR FORMULA: C10H13IN2
MOLECULAR WEIGHT: 288.12809
SMILES: C1CN(CCN1)C2=CC=C(C=C2)I
Structure:
CAS RN: 146062-44-4
CAS Name: 5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridyl]ethoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: CC(C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O
Structure:
CAS RN: 108321-19-3
CAS Name: N-(4-nitrophenyl)-2-pyrrolidinecarboxamide
OPENEYE Name: N-(4-nitrophenyl)pyrrolidine-2-carboxamide
IUPAC Name: N-(4-nitrophenyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-(4-nitrophenyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C11H13N3O3
MOLECULAR WEIGHT: 235.23922
SMILES: C1CC(NC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 15166-26-4
CAS Name: 1-chloro-2,4-diisocyanato-5-methylbenzene
OPENEYE Name: 1-chloro-2,4-diisocyanato-5-methyl-benzene
IUPAC Name: 1-chloro-2,4-diisocyanato-5-methylbenzene
SYSTEMATIC NAME: 1-chloranyl-2,4-diisocyanato-5-methyl-benzene
MOLECULAR FORMULA: C9H5ClN2O2
MOLECULAR WEIGHT: 208.6012
SMILES: CC1=CC(=C(C=C1N=C=O)N=C=O)Cl
Structure:
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