4-[(3,4-dimethoxyphenyl)amino]-5-phenylazanyl-phthalic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-5-phenylazanyl-phthalic acid Openeye Name: 4-anilino-5-(3,4-dimethoxyanilino)phthalic acid CAS Name: 4-anilino-5-(3,4-dimethoxyanilino)phthalic acid IUPAC Name: 4-anilino-5-(3,4-dimethoxyanilino)phthalic acid Traditional Name: 4-anilino-5-(3,4-dimethoxyanilino)phthalic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)C(=O)O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)C(=O)O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O6/c1-29-19-9-8-14(10-20(19)30-2)24-18-12-16(22(27)28)15(21(25)26)11-17(18)23-13-6-4-3-5-7-13/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)