[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)OCC

InChI

InChI=1S/C27H25N3O6/c1-3-34-22-15-14-18(16-23(22)35-4-2)28-24(31)17-36-27(33)25-20-12-8-9-13-21(20)26(32)30(29-25)19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)