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

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-2-28-19(26)12-7-9-13(10-8-12)21-16(24)11-29-20(27)17-14-5-3-4-6-15(14)18(25)23-22-17/h3-10H,2,11H2,1H3,(H,21,24)(H,23,25)