[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4O4/c17-9-4-10-20(12-5-2-1-3-6-12)15(22)11-24-16(23)13-7-8-14(21)19-18-13/h1-3,5-6H,4,7-8,10-11H2,(H,19,21)