1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-6-nitro-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-6-nitro-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-6-nitro-2-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-6-nitro-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-6-nitro-2-oxoquinoline-3-carboxylic acid Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-nitro-1-o-veratryl-quinoline-3-carboxylic acid Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=C(C(=CC=C4)OC)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=C(C(=CC=C4)OC)OC)C(=O)O

InChI

InChI=1S/C26H22N2O8/c1-34-18-10-7-15(8-11-18)22-19-13-17(28(32)33)9-12-20(19)27(25(29)23(22)26(30)31)14-16-5-4-6-21(35-2)24(16)36-3/h4-13H,14H2,1-3H3,(H,30,31)