[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H14N4O4/c20-10-12-5-1-4-8-15(12)21-17(24)11-27-18(25)9-16-13-6-2-3-7-14(13)19(26)23-22-16/h1-8H,9,11H2,(H,21,24)(H,23,26)