methyl 2-(3-nitrophenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3-nitrophenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-nitrophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(3-nitrophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-nitrophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-(3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H22N2O8/c1-33-20-12-15(13-21(34-2)24(20)35-3)22-18-10-5-6-11-19(18)25(29)27(23(22)26(30)36-4)16-8-7-9-17(14-16)28(31)32/h5-14H,1-4H3