CAS RN: 6062-25-5
CAS Name: 5-hydroxy-3-methyl-1,3-dihydroindol-2-one
OPENEYE Name: 5-hydroxy-3-methyl-indolin-2-one
IUPAC Name: 5-hydroxy-3-methyl-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 3-methyl-5-oxidanyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: CC1C2=C(C=CC(=C2)O)NC1=O
Structure:
CAS RN: 6855-48-7
CAS Name: 6-hydroxy-1,3-dihydroindol-2-one
OPENEYE Name: 6-hydroxyindolin-2-one
IUPAC Name: 6-hydroxy-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 6-oxidanyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1C2=C(C=C(C=C2)O)NC1=O
Structure:
CAS RN: 148587-01-3
CAS Name: 4-chloro-2-oxo-1-phenyl-3-quinolinecarboxaldehyde
OPENEYE Name: 4-chloro-2-oxo-1-phenyl-quinoline-3-carbaldehyde
IUPAC Name: 4-chloro-2-oxo-1-phenylquinoline-3-carbaldehyde
SYSTEMATIC NAME: 4-chloranyl-2-oxidanylidene-1-phenyl-quinoline-3-carbaldehyde
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C=O)Cl
Structure:
CAS RN: 85684-50-0
CAS Name: bis(anilinomethyl)-methyl-phenylphosphonium iodide
OPENEYE Name: bis(anilinomethyl)-methyl-phenyl-phosphonium iodide
IUPAC Name: bis(anilinomethyl)-methyl-phenylphosphanium iodide
SYSTEMATIC NAME: methyl-phenyl-bis(phenylazanylmethyl)phosphanium iodide
MOLECULAR FORMULA: C21H24IN2P
MOLECULAR WEIGHT: 462.306891
SMILES: C[P+](CNC1=CC=CC=C1)(CNC2=CC=CC=C2)C3=CC=CC=C3.[I-]
Structure:
CAS RN: 79359-44-7
CAS Name: 4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
OPENEYE Name: 4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
IUPAC Name: 4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
SYSTEMATIC NAME: 4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
MOLECULAR FORMULA: C13H9NO3
MOLECULAR WEIGHT: 227.21546
SMILES: CC1=CC(=O)OC2=C1C(=O)NC3=CC=CC=C32
Structure:
CAS RN: 3446-58-0
CAS Name: 3-oxo-3-phenylpropanamide
OPENEYE Name: 3-oxo-3-phenyl-propanamide
IUPAC Name: 3-oxo-3-phenylpropanamide
SYSTEMATIC NAME: 3-oxidanylidene-3-phenyl-propanamide
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)N
Structure:
CAS RN: 24202-80-0
CAS Name: 2-methyl-4-(3-pyridinyl)-3-butyn-2-ol
OPENEYE Name: 2-methyl-4-(3-pyridyl)but-3-yn-2-ol
IUPAC Name: 2-methyl-4-pyridin-3-ylbut-3-yn-2-ol
SYSTEMATIC NAME: 2-methyl-4-pyridin-3-yl-but-3-yn-2-ol
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CC(C)(C#CC1=CN=CC=C1)O
Structure:
CAS RN: 5048-63-5
CAS Name: 1-(benzenesulfonyl)-2,2-dimethylaziridine
OPENEYE Name: 1-(benzenesulfonyl)-2,2-dimethyl-aziridine
IUPAC Name: 1-(benzenesulfonyl)-2,2-dimethylaziridine
SYSTEMATIC NAME: 2,2-dimethyl-1-(phenylsulfonyl)aziridine
MOLECULAR FORMULA: C10H13NO2S
MOLECULAR WEIGHT: 211.28072
SMILES: CC1(CN1S(=O)(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 112970-57-7
CAS Name: N-(2,4-dibromophenyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(2,4-dibromophenyl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(2,4-dibromophenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[2,4-bis(bromanyl)phenyl]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C13H11Br2NO2S
MOLECULAR WEIGHT: 405.10494
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)Br
Structure:
CAS RN: 5238-43-7
CAS Name: 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxy-3-furanone
OPENEYE Name: 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]-2-hydroxy-furan-3-one
IUPAC Name: 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-2-oxidanyl-furan-3-one
MOLECULAR FORMULA: C18H12Cl2O4
MOLECULAR WEIGHT: 363.19148
SMILES: C1=CC(=CC=C1C2=CC(=O)C(O2)(CC(=O)C3=CC=C(C=C3)Cl)O)Cl
Structure:
CAS RN: 160282-19-9
CAS Name: (Z)-4-[2-[bis[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-4-[2-[bis[4-(dimethylamino)phenyl]methylene]hydrazino]-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-4-[2-[bis[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-[2-[bis[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C21H24N4O3
MOLECULAR WEIGHT: 380.44026
SMILES: CN(C)C1=CC=C(C=C1)C(=NNC(=O)/C=C\C(=O)O)C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 85658-33-9
CAS Name: N-[(4,6-diphenyl-2-pyrimidinyl)imino]-N'-(4-methoxyanilino)benzenecarboximidamide
OPENEYE Name: N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(4-methoxyanilino)benzamidine
IUPAC Name: N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(4-methoxyanilino)benzenecarboximidamide
SYSTEMATIC NAME: N-(4,6-diphenylpyrimidin-2-yl)imino-N'-[(4-methoxyphenyl)amino]benzenecarboximidamide
MOLECULAR FORMULA: C30H24N6O
MOLECULAR WEIGHT: 484.55116
SMILES: COC1=CC=C(C=C1)NN=C(C2=CC=CC=C2)N=NC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 28288-38-2
CAS Name: N'-(4-bromoanilino)-N-[[1-(phenylmethyl)-2-benzimidazolyl]imino]ethanimidamide
OPENEYE Name: N-(1-benzylbenzimidazol-2-yl)imino-N'-(4-bromoanilino)acetamidine
IUPAC Name: N-(1-benzylbenzimidazol-2-yl)imino-N'-(4-bromoanilino)ethanimidamide
SYSTEMATIC NAME: N'-[(4-bromophenyl)amino]-N-[1-(phenylmethyl)benzimidazol-2-yl]imino-ethanimidamide
MOLECULAR FORMULA: C22H19BrN6
MOLECULAR WEIGHT: 447.33046
SMILES: CC(=NNC1=CC=C(C=C1)Br)N=NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4
Structure:
CAS RN: 132028-55-8
CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-2-pyrrolidinone
OPENEYE Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)pyrrolidin-2-one
IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C14H17N3O6S
MOLECULAR WEIGHT: 355.36628
SMILES: C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]
Structure:
CAS RN: 332025-00-0
CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (4-chlorophenyl) ester
OPENEYE Name: (4-chlorophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate
IUPAC Name: (4-chlorophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate
SYSTEMATIC NAME: (4-chlorophenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate
MOLECULAR FORMULA: C16H14ClNO4S
MOLECULAR WEIGHT: 351.80466
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 42473-02-9
CAS Name: 2-(2-oxo-3-oxolanyl)isoindole-1,3-dione
OPENEYE Name: 2-(2-oxotetrahydrofuran-3-yl)isoindoline-1,3-dione
IUPAC Name: 2-(2-oxooxolan-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2-oxidanylideneoxolan-3-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1COC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 17247-37-9
CAS Name: 3,3-dichloro-1-phenylquinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-1-phenyl-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-1-phenylquinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-1-phenyl-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9Cl2NO2
MOLECULAR WEIGHT: 306.14346
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C(C2=O)(Cl)Cl
Structure:
CAS RN: 2165-04-0
CAS Name: 2-methyl-6-phenyl-3-pyridazinone
OPENEYE Name: 2-methyl-6-phenyl-pyridazin-3-one
IUPAC Name: 2-methyl-6-phenylpyridazin-3-one
SYSTEMATIC NAME: 2-methyl-6-phenyl-pyridazin-3-one
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CN1C(=O)C=CC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 326899-80-3
CAS Name: 3-bromo-5-methoxy-2,6-dinitropyridine
OPENEYE Name: 3-bromo-5-methoxy-2,6-dinitro-pyridine
IUPAC Name: 3-bromo-5-methoxy-2,6-dinitropyridine
SYSTEMATIC NAME: 3-bromanyl-5-methoxy-2,6-dinitro-pyridine
MOLECULAR FORMULA: C6H4BrN3O5
MOLECULAR WEIGHT: 278.01706
SMILES: COC1=CC(=C(N=C1[N+](=O)[O-])[N+](=O)[O-])Br
Structure:
CAS RN: 330965-06-5
CAS Name: 4-(4,5-dinitro-1-imidazolyl)-2-butanone
OPENEYE Name: 4-(4,5-dinitroimidazol-1-yl)butan-2-one
IUPAC Name: 4-(4,5-dinitroimidazol-1-yl)butan-2-one
SYSTEMATIC NAME: 4-(4,5-dinitroimidazol-1-yl)butan-2-one
MOLECULAR FORMULA: C7H8N4O5
MOLECULAR WEIGHT: 228.16222
SMILES: CC(=O)CCN1C=NC(=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5006-69-9
CAS Name: 2-(4-nitro-1-imidazolyl)ethanol
OPENEYE Name: 2-(4-nitroimidazol-1-yl)ethanol
IUPAC Name: 2-(4-nitroimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(4-nitroimidazol-1-yl)ethanol
MOLECULAR FORMULA: C5H7N3O3
MOLECULAR WEIGHT: 157.12738
SMILES: C1=C(N=CN1CCO)[N+](=O)[O-]
Structure:
CAS RN: 462076-31-9
CAS Name: tetrakis[(2-methylanilino)methyl]phosphonium
OPENEYE Name: tetrakis[(2-methylanilino)methyl]phosphonium
IUPAC Name: tetrakis[(2-methylanilino)methyl]phosphanium
SYSTEMATIC NAME: tetrakis[[(2-methylphenyl)amino]methyl]phosphanium
MOLECULAR FORMULA: C32H40N4P+
MOLECULAR WEIGHT: 511.660561
SMILES: CC1=CC=CC=C1NC[P+](CNC2=CC=CC=C2C)(CNC3=CC=CC=C3C)CNC4=CC=CC=C4C
Structure:
CAS RN: 39118-56-4
CAS Name: [hydroxymethyl(phenyl)phosphoryl]methanol
OPENEYE Name: [hydroxymethyl(phenyl)phosphoryl]methanol
IUPAC Name: [hydroxymethyl(phenyl)phosphoryl]methanol
SYSTEMATIC NAME: [hydroxymethyl(phenyl)phosphoryl]methanol
MOLECULAR FORMULA: C8H11O3P
MOLECULAR WEIGHT: 186.144901
SMILES: C1=CC=C(C=C1)P(=O)(CO)CO
Structure:
CAS RN: 72897-06-4
CAS Name: 5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphorinane
OPENEYE Name: 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
IUPAC Name: 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
SYSTEMATIC NAME: 5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphinane
MOLECULAR FORMULA: C23H25N2P
MOLECULAR WEIGHT: 360.431761
SMILES: C1N(CP(CN1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
Structure:
CAS RN: 182227-96-9
CAS Name: 4-[(1-chloro-3-hydroxypropan-2-yl)amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[1-(chloromethyl)-2-hydroxy-ethyl]amino]benzoate
IUPAC Name: ethyl 4-[(1-chloro-3-hydroxypropan-2-yl)amino]benzoate
SYSTEMATIC NAME: ethyl 4-[(1-chloranyl-3-oxidanyl-propan-2-yl)amino]benzoate
MOLECULAR FORMULA: C12H16ClNO3
MOLECULAR WEIGHT: 257.71334
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(CO)CCl
Structure:
CAS RN: 63550-51-6
CAS Name: 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione
OPENEYE Name: 1-(4-bromobutyl)-3,6-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(4-bromanylbutyl)-3,6-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H15BrN2O2
MOLECULAR WEIGHT: 275.1423
SMILES: CC1=CC(=O)N(C(=O)N1CCCCBr)C
Structure:
CAS RN: 63550-50-5
CAS Name: 1-(3-bromopropyl)-3,6-dimethylpyrimidine-2,4-dione
OPENEYE Name: 1-(3-bromopropyl)-3,6-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 1-(3-bromopropyl)-3,6-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-3,6-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H13BrN2O2
MOLECULAR WEIGHT: 261.11572
SMILES: CC1=CC(=O)N(C(=O)N1CCCBr)C
Structure:
CAS RN: 63594-12-7
CAS Name: 3-(4-bromobutyl)-1,6-dimethylpyrimidine-2,4-dione
OPENEYE Name: 3-(4-bromobutyl)-1,6-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 3-(4-bromobutyl)-1,6-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(4-bromanylbutyl)-1,6-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H15BrN2O2
MOLECULAR WEIGHT: 275.1423
SMILES: CC1=CC(=O)N(C(=O)N1C)CCCCBr
Structure:
CAS RN: 91974-98-0
CAS Name: N-(4-methylphenyl)-3,5-dinitro-2-pyridinamine
OPENEYE Name: 3,5-dinitro-N-(p-tolyl)pyridin-2-amine
IUPAC Name: N-(4-methylphenyl)-3,5-dinitropyridin-2-amine
SYSTEMATIC NAME: N-(4-methylphenyl)-3,5-dinitro-pyridin-2-amine
MOLECULAR FORMULA: C12H10N4O4
MOLECULAR WEIGHT: 274.2322
SMILES: CC1=CC=C(C=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 18617-42-0
CAS Name: 3,5-dinitro-N-phenyl-2-pyridinamine
OPENEYE Name: 3,5-dinitro-N-phenyl-pyridin-2-amine
IUPAC Name: 3,5-dinitro-N-phenylpyridin-2-amine
SYSTEMATIC NAME: 3,5-dinitro-N-phenyl-pyridin-2-amine
MOLECULAR FORMULA: C11H8N4O4
MOLECULAR WEIGHT: 260.20562
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 73895-33-7
CAS Name: 3-nitro-N2,N6-diphenylpyridine-2,6-diamine
OPENEYE Name: 3-nitro-N2,N6-diphenyl-pyridine-2,6-diamine
IUPAC Name: 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
SYSTEMATIC NAME: 3-nitro-N2,N6-diphenyl-pyridine-2,6-diamine
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: C1=CC=C(C=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3
Structure:
CAS RN: 381679-24-9
CAS Name: N-(5-bromo-3-nitro-2-pyridinyl)acetamide
OPENEYE Name: N-(5-bromo-3-nitro-2-pyridyl)acetamide
IUPAC Name: N-(5-bromo-3-nitropyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(5-bromanyl-3-nitro-pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C7H6BrN3O3
MOLECULAR WEIGHT: 260.04484
SMILES: CC(=O)NC1=NC=C(C=C1[N+](=O)[O-])Br
Structure:
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