[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

InChI

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