[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H16N4O4/c22-12-16-7-4-8-17(11-16)23-19(26)14-29-21(28)18-9-10-20(27)25(24-18)13-15-5-2-1-3-6-15/h1-11H,13-14H2,(H,23,26)