[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c1-2-12-23(14-8-4-3-5-9-14)17(24)13-27-20(26)18-15-10-6-7-11-16(15)19(25)22-21-18/h2-11H,1,12-13H2,(H,22,25)