6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(1H-isoindol-5-ylamino)-6-(3-methoxyphenyl)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CC=C(C=C2C(=O)O)[N+](=O)[O-])NC3=CC4=C(CN=C4)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2(CC=C(C=C2C(=O)O)[N+](=O)[O-])NC3=CC4=C(CN=C4)C=C3

InChI

InChI=1S/C22H19N3O5/c1-30-19-4-2-3-16(10-19)22(8-7-18(25(28)29)11-20(22)21(26)27)24-17-6-5-14-12-23-13-15(14)9-17/h2-7,9-11,13,24H,8,12H2,1H3,(H,26,27)