CAS RN: 70706-88-6
CAS Name: 1-(2-naphthalenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(2-naphthyl)pyrrolidine-2,5-dione
IUPAC Name: 1-naphthalen-2-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-naphthalen-2-ylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1CC(=O)N(C1=O)C2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 1210-03-3
CAS Name: 3-methyl-4H-benzo[f]quinolin-1-one
OPENEYE Name: 3-methyl-4H-benzo[f]quinolin-1-one
IUPAC Name: 3-methyl-4H-benzo[f]quinolin-1-one
SYSTEMATIC NAME: 3-methyl-4H-benzo[f]quinolin-1-one
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: CC1=CC(=O)C2=C(N1)C=CC3=CC=CC=C32
Structure:
CAS RN: 39111-94-9
CAS Name: 3-(2-quinolinyl)propanoic acid
OPENEYE Name: 3-(2-quinolyl)propanoic acid
IUPAC Name: 3-quinolin-2-ylpropanoic acid
SYSTEMATIC NAME: 3-quinolin-2-ylpropanoic acid
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)O
Structure:
CAS RN: 62324-90-7
CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
OPENEYE Name: 7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
IUPAC Name: 7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
SYSTEMATIC NAME: 7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C=NO3
Structure:
CAS RN: 5600-19-1
CAS Name: 1-[(2-nitrophenyl)methyl]pyrrolidine
OPENEYE Name: 1-[(2-nitrophenyl)methyl]pyrrolidine
IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrrolidine
SYSTEMATIC NAME: 1-[(2-nitrophenyl)methyl]pyrrolidine
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1CCN(C1)CC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 39488-05-6
CAS Name: 1-[(2-nitrophenyl)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(2-nitrophenyl)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[(2-nitrophenyl)methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: C1CC(=O)N(C1=O)CC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 68321-98-2
CAS Name: 2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dione
OPENEYE Name: 2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dione
IUPAC Name: 2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dione
SYSTEMATIC NAME: 2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dione
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: C1CC(=O)N2C1=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 37578-06-6
CAS Name: 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
OPENEYE Name: 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
IUPAC Name: 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
MOLECULAR FORMULA: C9H11N3S
MOLECULAR WEIGHT: 193.26874
SMILES: CN1CCC2=C(C1)SC(=C2C#N)N
Structure:
CAS RN: 58-57-1
CAS Name: 1-hydroxy-2-quinolinone
OPENEYE Name: 1-hydroxyquinolin-2-one
IUPAC Name: 1-hydroxyquinolin-2-one
SYSTEMATIC NAME: 1-oxidanylquinolin-2-one
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1=CC=C2C(=C1)C=CC(=O)N2O
Structure:
CAS RN: 34006-49-0
CAS Name: 2-chloro-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-chloro-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-chloro-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C8H6ClNO3
MOLECULAR WEIGHT: 199.59114
SMILES: C1=CC(=CC=C1C(=O)CCl)[N+](=O)[O-]
Structure:
CAS RN: 3346-61-0
CAS Name: 6-amino-1,3-dimethyl-5-nitropyrimidine-2,4-dione
OPENEYE Name: 6-amino-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
IUPAC Name: 6-amino-1,3-dimethyl-5-nitropyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N4O4
MOLECULAR WEIGHT: 200.15212
SMILES: CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N
Structure:
CAS RN: 3346-22-3
CAS Name: 6-amino-5-nitro-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-amino-5-nitro-1H-pyrimidine-2,4-dione
IUPAC Name: 6-amino-5-nitro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-nitro-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C4H4N4O4
MOLECULAR WEIGHT: 172.09896
SMILES: C1(=C(NC(=O)NC1=O)N)[N+](=O)[O-]
Structure:
CAS RN: 88526-39-0
CAS Name: 2-methyl-6-phenoxy-2-hexanol
OPENEYE Name: 2-methyl-6-phenoxy-hexan-2-ol
IUPAC Name: 2-methyl-6-phenoxyhexan-2-ol
SYSTEMATIC NAME: 2-methyl-6-phenoxy-hexan-2-ol
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CC(C)(CCCCOC1=CC=CC=C1)O
Structure:
CAS RN: 13033-44-8
CAS Name: 4-anilino-2,2-dimethyl-4-oxobutanoic acid
OPENEYE Name: 4-anilino-2,2-dimethyl-4-oxo-butanoic acid
IUPAC Name: 4-anilino-2,2-dimethyl-4-oxobutanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-4-oxidanylidene-4-phenylazanyl-butanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)(CC(=O)NC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 39513-54-7
CAS Name: 4-methyl-3-oxo-1-cyclohexanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-methyl-3-oxo-cyclohexanecarboxylate
IUPAC Name: methyl 4-methyl-3-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: methyl 4-methyl-3-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC1CCC(CC1=O)C(=O)OC
Structure:
CAS RN: 1695-04-1
CAS Name: 4-methylbenzenesulfonic acid 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl ester
OPENEYE Name: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C22H25N3O8S2
MOLECULAR WEIGHT: 523.5792
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CNC(=O)NC3=O
Structure:
CAS RN: 53799-67-0
CAS Name: N-[butyl(methyl)-$l^{4}-sulfanylidene]-4-methylbenzenesulfonamide
OPENEYE Name: N-[butyl(methyl)-$l^{4}-sulfanylidene]-4-methyl-benzenesulfonamide
IUPAC Name: N-[butyl(methyl)-$l^{4}-sulfanylidene]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[butyl(methyl)-$l^{4}-sulfanylidene]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C12H19NO2S2
MOLECULAR WEIGHT: 273.41476
SMILES: CCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C
Structure:
CAS RN: 33118-34-2
CAS Name: 1-prop-2-enoxyhexane
OPENEYE Name: 1-allyloxyhexane
IUPAC Name: 1-prop-2-enoxyhexane
SYSTEMATIC NAME: 1-prop-2-enoxyhexane
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CCCCCCOCC=C
Structure:
CAS RN: 926-40-9
CAS Name: 2-methyl-2-(propylthio)propane
OPENEYE Name: 2-methyl-2-propylsulfanyl-propane
IUPAC Name: 2-methyl-2-propylsulfanylpropane
SYSTEMATIC NAME: 2-methyl-2-propylsulfanyl-propane
MOLECULAR FORMULA: C7H16S
MOLECULAR WEIGHT: 132.26694
SMILES: CCCSC(C)(C)C
Structure:
CAS RN: 1531-80-2
CAS Name: 2-(phenylmethylthio)benzoic acid
OPENEYE Name: 2-benzylsulfanylbenzoic acid
IUPAC Name: 2-benzylsulfanylbenzoic acid
SYSTEMATIC NAME: 2-(phenylmethylsulfanyl)benzoic acid
MOLECULAR FORMULA: C14H12O2S
MOLECULAR WEIGHT: 244.30888
SMILES: C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 140-45-4
CAS Name: 3-(2-oxopropyl)-1H-quinoxalin-2-one
OPENEYE Name: 3-acetonyl-1H-quinoxalin-2-one
IUPAC Name: 3-(2-oxopropyl)-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-(2-oxidanylidenepropyl)-1H-quinoxalin-2-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC(=O)CC1=NC2=CC=CC=C2NC1=O
Structure:
CAS RN: 92921-25-0
CAS Name: 3-[[4-(dimethylamino)phenyl]methyl]-2-oxolanone
OPENEYE Name: 3-[[4-(dimethylamino)phenyl]methyl]tetrahydrofuran-2-one
IUPAC Name: 3-[[4-(dimethylamino)phenyl]methyl]oxolan-2-one
SYSTEMATIC NAME: 3-[[4-(dimethylamino)phenyl]methyl]oxolan-2-one
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CN(C)C1=CC=C(C=C1)CC2CCOC2=O
Structure:
CAS RN: 7476-68-8
CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]oxolane-2,3-dione
OPENEYE Name: 4-(3,4-dimethoxybenzoyl)tetrahydrofuran-2,3-dione
IUPAC Name: 4-(3,4-dimethoxybenzoyl)oxolane-2,3-dione
SYSTEMATIC NAME: 4-(3,4-dimethoxyphenyl)carbonyloxolane-2,3-dione
MOLECULAR FORMULA: C13H12O6
MOLECULAR WEIGHT: 264.23078
SMILES: COC1=C(C=C(C=C1)C(=O)C2COC(=O)C2=O)OC
Structure:
CAS RN: 53878-12-9
CAS Name: 7-(bromomethyl)-1-benzopyran-2-one
OPENEYE Name: 7-(bromomethyl)chromen-2-one
IUPAC Name: 7-(bromomethyl)chromen-2-one
SYSTEMATIC NAME: 7-(bromomethyl)chromen-2-one
MOLECULAR FORMULA: C10H7BrO2
MOLECULAR WEIGHT: 239.06538
SMILES: C1=CC(=CC2=C1C=CC(=O)O2)CBr
Structure:
CAS RN: 595-05-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N4
MOLECULAR WEIGHT: 346.46864
SMILES: CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C
Structure:
CAS RN: 13114-96-0
CAS Name: 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydroisobenzofuran-1-one
OPENEYE Name: 3-(dichloromethylene)-4,5,6,7-tetraphenyl-3a,7a-dihydroisobenzofuran-1-one
IUPAC Name: 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[bis(chloranyl)methylidene]-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1-one
MOLECULAR FORMULA: C33H22Cl2O2
MOLECULAR WEIGHT: 521.43258
SMILES: C1=CC=C(C=C1)C2=C(C(=C(C3C2C(=C(Cl)Cl)OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 2902-72-9
CAS Name: 5-hydroxy-5-(trichloromethyl)-2-furanone
OPENEYE Name: 5-hydroxy-5-(trichloromethyl)furan-2-one
IUPAC Name: 5-hydroxy-5-(trichloromethyl)furan-2-one
SYSTEMATIC NAME: 5-oxidanyl-5-(trichloromethyl)furan-2-one
MOLECULAR FORMULA: C5H3Cl3O3
MOLECULAR WEIGHT: 217.43452
SMILES: C1=CC(OC1=O)(C(Cl)(Cl)Cl)O
Structure:
CAS RN: 13088-35-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12Cl2O2
MOLECULAR WEIGHT: 343.20338
SMILES: C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=C(Cl)Cl)OC4=O
Structure:
CAS RN: 54802-19-6
CAS Name: 5,6,7,8-tetrahydro-1H-quinolin-2-one
OPENEYE Name: 5,6,7,8-tetrahydro-1H-quinolin-2-one
IUPAC Name: 5,6,7,8-tetrahydro-1H-quinolin-2-one
SYSTEMATIC NAME: 5,6,7,8-tetrahydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1CCC2=C(C1)C=CC(=O)N2
Structure:
CAS RN: 4815-29-6
CAS Name: 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C10H13NO2S
MOLECULAR WEIGHT: 211.28072
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)N
Structure:
CAS RN: 36045-66-6
CAS Name: 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one
OPENEYE Name: 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one
IUPAC Name: 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one
SYSTEMATIC NAME: 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one
MOLECULAR FORMULA: C16H20O3S
MOLECULAR WEIGHT: 292.3932
SMILES: COC1=C(C2=C(C=C1)C(=O)CSC3C2CCCC3)OC
Structure:
CAS RN: 29798-82-1
CAS Name: 4,5-dibromo-1,2,4,5-tetrahydro-3$l^{6}-benzothiepin 3,3-dioxide
OPENEYE Name: 4,5-dibromo-1,2,4,5-tetrahydro-3$l^{6}-benzothiepine 3,3-dioxide
IUPAC Name: 4,5-dibromo-1,2,4,5-tetrahydro-3$l^{6}-benzothiepine 3,3-dioxide
SYSTEMATIC NAME: 4,5-bis(bromanyl)-1,2,4,5-tetrahydro-3$l^{6}-benzothiepine 3,3-dioxide
MOLECULAR FORMULA: C10H10Br2O2S
MOLECULAR WEIGHT: 354.0582
SMILES: C1CS(=O)(=O)C(C(C2=CC=CC=C21)Br)Br
Structure:
CAS RN: 102305-59-9
CAS Name: 1-methyl-4-phenyl-4-phosphorinanol
OPENEYE Name: 1-methyl-4-phenyl-phosphinan-4-ol
IUPAC Name: 1-methyl-4-phenylphosphinan-4-ol
SYSTEMATIC NAME: 1-methyl-4-phenyl-phosphinan-4-ol
MOLECULAR FORMULA: C12H17OP
MOLECULAR WEIGHT: 208.236541
SMILES: CP1CCC(CC1)(C2=CC=CC=C2)O
Structure:
CAS RN: 62331-39-9
CAS Name: 4-nitrosonaphthalene-1,3-diol
OPENEYE Name: 4-nitrosonaphthalene-1,3-diol
IUPAC Name: 4-nitrosonaphthalene-1,3-diol
SYSTEMATIC NAME: 4-nitrosonaphthalene-1,3-diol
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC=C2C(=C1)C(=CC(=C2N=O)O)O
Structure:
CAS RN: 41019-50-5
CAS Name: 3-bromo-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-5,6-dione
OPENEYE Name: 3-bromo-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
IUPAC Name: 3-bromo-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
SYSTEMATIC NAME: 3-bromanyl-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
MOLECULAR FORMULA: C15H13BrO3
MOLECULAR WEIGHT: 321.16592
SMILES: CC1(C(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)Br)C
Structure:
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