Product OPENEYE NAME: dimethyl (Z)-2-(benzylamino)-3-(2,2,2-trifluoroacetyl)but-2-enedioate
CAS Name: (Z)-2-[(phenylmethyl)amino]-3-(2,2,2-trifluoro-1-oxoethyl)-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (Z)-2-(benzylamino)-3-(2,2,2-trifluoroacetyl)but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(phenylmethyl)amino]-3-[2,2,2-tris(fluoranyl)ethanoyl]but-2-enedioate
MOLECULAR FORMULA: C15H14F3NO5
MOLECULAR WEIGHT: 345.27057
SMILES: COC(=O)/C(=C(/C(=O)OC)\NCC1=CC=CC=C1)/C(=O)C(F)(F)F
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Product OPENEYE NAME: (E)-[5,6-dioxo-3-(trifluoromethyl)-1H-pyridazin-4-ylidene]-methoxy-methanolate
CAS Name: (E)-[5,6-dioxo-3-(trifluoromethyl)-1H-pyridazin-4-ylidene]-methoxymethanolate
IUPAC NAME: (E)-[5,6-dioxo-3-(trifluoromethyl)-1H-pyridazin-4-ylidene]-methoxymethanolate
SYSTEMATIC NAME: (E)-[5,6-bis(oxidanylidene)-3-(trifluoromethyl)-1H-pyridazin-4-ylidene]-methoxy-methanolate
MOLECULAR FORMULA: C7H4F3N2O4-
MOLECULAR WEIGHT: 237.11287
SMILES: CO/C(=C\1/C(=O)C(=O)NN=C1C(F)(F)F)/[O-]
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Product OPENEYE NAME: (E)-[5,6-dioxo-1-phenyl-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
CAS Name: (E)-[5,6-dioxo-1-phenyl-3-(trifluoromethyl)-4-pyridazinylidene]-methoxymethanolate
IUPAC NAME: (E)-[5,6-dioxo-1-phenyl-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxymethanolate
SYSTEMATIC NAME: (E)-[5,6-bis(oxidanylidene)-1-phenyl-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
MOLECULAR FORMULA: C13H8F3N2O4-
MOLECULAR WEIGHT: 313.20883
SMILES: CO/C(=C\1/C(=O)C(=O)N(N=C1C(F)(F)F)C2=CC=CC=C2)/[O-]
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Product OPENEYE NAME: (E)-methoxy-[1-(4-methoxyphenyl)-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]methanolate
CAS Name: (E)-methoxy-[1-(4-methoxyphenyl)-5,6-dioxo-3-(trifluoromethyl)-4-pyridazinylidene]methanolate
IUPAC NAME: (E)-methoxy-[1-(4-methoxyphenyl)-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]methanolate
SYSTEMATIC NAME: (E)-methoxy-[1-(4-methoxyphenyl)-5,6-bis(oxidanylidene)-3-(trifluoromethyl)pyridazin-4-ylidene]methanolate
MOLECULAR FORMULA: C14H10F3N2O5-
MOLECULAR WEIGHT: 343.23481
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=O)/C(=C(\[O-])/OC)/C(=N2)C(F)(F)F
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Product OPENEYE NAME: (E)-[5,6-dioxo-1-(2-pyridyl)-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
CAS Name: (E)-[5,6-dioxo-1-(2-pyridinyl)-3-(trifluoromethyl)-4-pyridazinylidene]-methoxymethanolate
IUPAC NAME: (E)-[5,6-dioxo-1-pyridin-2-yl-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxymethanolate
SYSTEMATIC NAME: (E)-[5,6-bis(oxidanylidene)-1-pyridin-2-yl-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
MOLECULAR FORMULA: C12H7F3N3O4-
MOLECULAR WEIGHT: 314.19689
SMILES: CO/C(=C\1/C(=O)C(=O)N(N=C1C(F)(F)F)C2=CC=CC=N2)/[O-]
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Product OPENEYE NAME: (E)-[1-benzyl-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
CAS Name: (E)-[5,6-dioxo-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyridazinylidene]-methoxymethanolate
IUPAC NAME: (E)-[1-benzyl-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxymethanolate
SYSTEMATIC NAME: (E)-[5,6-bis(oxidanylidene)-1-(phenylmethyl)-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
MOLECULAR FORMULA: C14H10F3N2O4-
MOLECULAR WEIGHT: 327.23541
SMILES: CO/C(=C\1/C(=O)C(=O)N(N=C1C(F)(F)F)CC2=CC=CC=C2)/[O-]
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Product OPENEYE NAME: (E)-[1-tert-butyl-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
CAS Name: (E)-[1-tert-butyl-5,6-dioxo-3-(trifluoromethyl)-4-pyridazinylidene]-methoxymethanolate
IUPAC NAME: (E)-[1-tert-butyl-5,6-dioxo-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxymethanolate
SYSTEMATIC NAME: (E)-[1-tert-butyl-5,6-bis(oxidanylidene)-3-(trifluoromethyl)pyridazin-4-ylidene]-methoxy-methanolate
MOLECULAR FORMULA: C11H12F3N2O4-
MOLECULAR WEIGHT: 293.21919
SMILES: CC(C)(C)N1C(=O)C(=O)/C(=C(\[O-])/OC)/C(=N1)C(F)(F)F
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Product OPENEYE NAME: methyl 1-isopropyl-2-methoxy-3,3-dimethyl-6-oxo-2H-pyridine-5-carboxylate
CAS Name: 2-methoxy-3,3-dimethyl-6-oxo-1-propan-2-yl-2H-pyridine-5-carboxylic acid methyl ester
IUPAC NAME: methyl 2-methoxy-3,3-dimethyl-6-oxo-1-propan-2-yl-2H-pyridine-5-carboxylate
SYSTEMATIC NAME: methyl 2-methoxy-3,3-dimethyl-6-oxidanylidene-1-propan-2-yl-2H-pyridine-5-carboxylate
MOLECULAR FORMULA: C13H21NO4
MOLECULAR WEIGHT: 255.31014
SMILES: CC(C)N1C(C(C=C(C1=O)C(=O)OC)(C)C)OC
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Product OPENEYE NAME: 2-phenyl-5,6-dihydro-1H-indole-4,7-dione
CAS Name: 2-phenyl-5,6-dihydro-1H-indole-4,7-dione
IUPAC NAME: 2-phenyl-5,6-dihydro-1H-indole-4,7-dione
SYSTEMATIC NAME: 2-phenyl-5,6-dihydro-1H-indole-4,7-dione
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1CC(=O)C2=C(C1=O)C=C(N2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-hydroxy-2-(4-phenylphenyl)chromen-4-one
CAS Name: 3-hydroxy-2-(4-phenylphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-hydroxy-2-(4-phenylphenyl)chromen-4-one
SYSTEMATIC NAME: 3-oxidanyl-2-(4-phenylphenyl)chromen-4-one
MOLECULAR FORMULA: C21H14O3
MOLECULAR WEIGHT: 314.33406
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O
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Product OPENEYE NAME: 6,9-bis[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
CAS Name: 6,9-bis[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
IUPAC NAME: 6,9-bis[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
SYSTEMATIC NAME: 6,9-bis[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
MOLECULAR FORMULA: C21H27N5O2
MOLECULAR WEIGHT: 381.47138
SMILES: CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)C=CC=N3
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Product OPENEYE NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[1-[[4-(3-furyl)phenyl]methyl]-6-isoquinolyl]oxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[1-[[4-(3-furanyl)phenyl]methyl]-6-isoquinolinyl]oxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[1-[[4-(furan-3-yl)phenyl]methyl]isoquinolin-6-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[1-[[4-(furan-3-yl)phenyl]methyl]isoquinolin-6-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C34H33NO11
MOLECULAR WEIGHT: 631.62592
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=NC=C3)CC4=CC=C(C=C4)C5=COC=C5)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: (2S,3R,4S,5S,6R)-2-[[1-[[4-(3-furyl)phenyl]methyl]-6-isoquinolyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2S,3R,4S,5S,6R)-2-[[1-[[4-(3-furanyl)phenyl]methyl]-6-isoquinolinyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2S,3R,4S,5S,6R)-2-[1-[[4-(furan-3-yl)phenyl]methyl]isoquinolin-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[1-[[4-(furan-3-yl)phenyl]methyl]isoquinolin-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C26H25NO7
MOLECULAR WEIGHT: 463.4792
SMILES: C1=CC(=CC=C1CC2=NC=CC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5
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Product OPENEYE NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-isoquinolyl]methyl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[[6-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1-isoquinolinyl]methyl]phenyl]-2-propenoic acid methyl ester
IUPAC NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyisoquinolin-1-yl]methyl]phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyisoquinolin-1-yl]methyl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C34H35NO12
MOLECULAR WEIGHT: 649.6412
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=NC=C3)CC4=CC=C(C=C4)/C=C/C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
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