[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H18N4O4/c1-3-9-22-16(23)8-7-15(21-22)18(25)26-12(2)17(24)20-14-6-4-5-13(10-14)11-19/h4-8,10,12H,3,9H2,1-2H3,(H,20,24)