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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-27-15-8-7-12(9-16(15)28-2)10-21-17(24)11-29-20(26)18-13-5-3-4-6-14(13)19(25)23-22-18/h3-9H,10-11H2,1-2H3,(H,21,24)(H,23,25)