methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-nitrophenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-nitrophenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-nitrophenyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(3-nitrophenyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(3-nitrophenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(3-nitrophenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H23BrN2O9 MolecularWeight: 599.38352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC)Br)OC

InChI

InChI=1S/C27H23BrN2O9/c1-35-20-12-17-18(13-21(20)36-2)26(31)29(15-7-6-8-16(11-15)30(33)34)24(27(32)39-5)23(17)14-9-19(28)25(38-4)22(10-14)37-3/h6-13H,1-5H3