CAS RN: 5805-95-8
CAS Name: N-(2-methyl-3-nitrophenyl)hydroxylamine
OPENEYE Name: N-(2-methyl-3-nitro-phenyl)hydroxylamine
IUPAC Name: N-(2-methyl-3-nitrophenyl)hydroxylamine
SYSTEMATIC NAME: N-(2-methyl-3-nitro-phenyl)hydroxylamine
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NO
Structure:
CAS RN: 188652-98-4
CAS Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethyl-4-quinolin-1-iumyl)-5-(1-ethyl-4-quinolinylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
OPENEYE Name: 1-ethyl-4-[(E,3E)-1-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium diiodide
IUPAC Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
MOLECULAR FORMULA: C38H37I2N3
MOLECULAR WEIGHT: 789.52942
SMILES: CCN1C=C/C(=C\C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[I-].[I-]
Structure:
CAS RN: 37187-86-3
CAS Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethyl-4-quinolin-1-iumyl)-5-(1-ethyl-4-quinolinylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
OPENEYE Name: 1-ethyl-4-[(E,3E)-1-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium diiodide
IUPAC Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
MOLECULAR FORMULA: C38H37I2N3
MOLECULAR WEIGHT: 789.52942
SMILES: CCN1C=C/C(=C\C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[I-].[I-]
Structure:
CAS RN: 40880-91-9
CAS Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethyl-4-quinolin-1-iumyl)-5-(1-ethyl-4-quinolinylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
OPENEYE Name: 1-ethyl-4-[(E,3E)-1-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium diiodide
IUPAC Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
MOLECULAR FORMULA: C38H37I2N3
MOLECULAR WEIGHT: 789.52942
SMILES: CCN1C=C/C(=C\C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[I-].[I-]
Structure:
CAS RN: 858476-43-4
CAS Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethyl-4-quinolin-1-iumyl)-5-(1-ethyl-4-quinolinylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
OPENEYE Name: 1-ethyl-4-[(E,3E)-1-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium diiodide
IUPAC Name: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
MOLECULAR FORMULA: C38H37I2N3
MOLECULAR WEIGHT: 789.52942
SMILES: CCN1C=C/C(=C\C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[I-].[I-]
Structure:
CAS RN: 4602-81-7
CAS Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one
OPENEYE Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one
IUPAC Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one
SYSTEMATIC NAME: 1-methyl-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1=C2C=C(C(=O)C=C2CCN1)O
Structure:
CAS RN: 3801-77-2
CAS Name: (2S)-2-[[(2S)-1-oxo-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C14H15F3N2O4
MOLECULAR WEIGHT: 332.27511
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(F)(F)F
Structure:
CAS RN: 2636-52-4
CAS Name: 2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
OPENEYE Name: 2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
IUPAC Name: 2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-7-[(1R,2S)-1,2-bis(oxidanyl)propyl]-1H-pteridin-4-one
MOLECULAR FORMULA: C9H11N5O3
MOLECULAR WEIGHT: 237.21534
SMILES: C[C@@H]([C@@H](C1=CN=C2C(=N1)NC(=NC2=O)N)O)O
Structure:
CAS RN: 2058-89-1
CAS Name: oxo-[[1-[[4-(oxoammoniomethylidene)-1-pyridinyl]methyl]-4-pyridinylidene]methyl]ammonium dibromide
OPENEYE Name: oxo-[[1-[[4-(oxoammoniomethylene)-1-pyridyl]methyl]-4-pyridylidene]methyl]ammonium dibromide
IUPAC Name: oxo-[[1-[[4-(oxoazaniumylmethylidene)pyridin-1-yl]methyl]pyridin-4-ylidene]methyl]azanium dibromide
SYSTEMATIC NAME: oxidanylidene-[[1-[[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]methyl]pyridin-4-ylidene]methyl]azanium dibromide
MOLECULAR FORMULA: C13H14Br2N4O2
MOLECULAR WEIGHT: 418.08386
SMILES: C1=CN(C=CC1=C[NH+]=O)CN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]
Structure:
CAS RN: 1486-66-4
CAS Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3,5-dimethoxy-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=C2C(=CC(=C1)O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O
Structure:
CAS RN: 1111-27-9
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N,N'-bis(phenylmethyl)ethane-1,2-diamine
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N,N'-dibenzylethane-1,2-diamine
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N,N'-dibenzylethane-1,2-diamine
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N,N'-bis(phenylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C60H66Cl2N6O16
MOLECULAR WEIGHT: 1198.10264
SMILES: C[C@]1(C2=C(C=CC(=C2C(=C3[C@@H]1C[C@@H]4[C@](C3=O)(C(=O)/C(=C(\O)/N)/C(=O)[C@H]4N(C)C)O)O)O)Cl)O.C[C@]1(C2=C(C=CC(=C2C(=C3[C@@H]1C[C@@H]4[C@](C3=O)(C(=O)/C(=C(\O)/N)/C(=O)[C@H]4N(C)C)O)O)O)Cl)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
Structure:
CAS RN: 54328-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H18O8
MOLECULAR WEIGHT: 506.45912
SMILES: CC1=CC(=C2C(=C1)C3=C4C5=CC(=CC(=C5C(=O)C6=C(C=C(C(=C46)C7=C3C(=C(C=C7O)O)C2=O)O)O)O)C)O
Structure:
CAS RN: 548-03-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H18O8
MOLECULAR WEIGHT: 506.45912
SMILES: CC1=CC(=C2C(=C1)C3=C4C5=CC(=CC(=C5C(=O)C6=C(C=C(C(=C46)C7=C3C(=C(C=C7O)O)C2=O)O)O)O)C)O
Structure:
CAS RN: 521-38-0
CAS Name: 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one
OPENEYE Name: 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propyl-chromen-2-one
IUPAC Name: 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
SYSTEMATIC NAME: 8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O
Structure:
CAS RN: 489-51-0
CAS Name: 10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid
OPENEYE Name: 10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid
IUPAC Name: 10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
SYSTEMATIC NAME: 4-(hydroxymethyl)-10-methanoyl-1,7-dimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid
MOLECULAR FORMULA: C18H14O9
MOLECULAR WEIGHT: 374.29836
SMILES: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O
Structure:
CAS RN: 489-33-8
CAS Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-8-methoxy-chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one
SYSTEMATIC NAME: 8-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O8
MOLECULAR WEIGHT: 346.28826
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
Structure:
CAS RN: 239-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12N2
MOLECULAR WEIGHT: 268.31198
SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=CC5=C4C=CC=N5
Structure:
CAS RN: 233-55-6
CAS Name: 3H-imidazo[4,5-f]quinoline
OPENEYE Name: 3H-imidazo[4,5-f]quinoline
IUPAC Name: 3H-imidazo[4,5-f]quinoline
SYSTEMATIC NAME: 3H-imidazo[4,5-f]quinoline
MOLECULAR FORMULA: C10H7N3
MOLECULAR WEIGHT: 169.18268
SMILES: C1=CC2=C(C=CC3=C2N=CN3)N=C1
Structure:
CAS RN: 16676-27-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26ClNO4
MOLECULAR WEIGHT: 391.88844
SMILES: CC(=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)C.Cl
Structure:
CAS RN: 142451-65-8
CAS Name: 3-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
No comments:
Post a Comment