3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

InChI

InChI=1S/C19H17N3O6/c1-27-14-8-7-11(9-15(14)28-2)20-16(23)10-22-18(24)13-6-4-3-5-12(13)17(21-22)19(25)26/h3-9H,10H2,1-2H3,(H,20,23)(H,25,26)