1-[(4-cyanophenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: 1-[(4-cyanophenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: 1-[(4-cyanophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate IUPAC Name: 1-[(4-cyanophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(4-cyanobenzyl)-6-keto-4,5-dihydropyridazine-3-carboxylate Formula: C13H10N3O3- MolecularWeight: 256.2368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)[O-])CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)[O-])CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O3/c14-7-9-1-3-10(4-2-9)8-16-12(17)6-5-11(15-16)13(18)19/h1-4H,5-6,8H2,(H,18,19)/p-1