(4-cyanophenyl)methyl 1-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(3-chloro-4-methyl-phenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid (4-cyanobenzyl) ester Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H16ClN3O3/c1-13-2-7-16(10-17(13)21)24-19(25)9-8-18(23-24)20(26)27-12-15-5-3-14(11-22)4-6-15/h2-7,10H,8-9,12H2,1H3