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

Systemtic Name: cyanomethyl 1-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)OCC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)OCC#N)Cl

InChI

InChI=1S/C14H12ClN3O3/c1-9-2-3-10(8-11(9)15)18-13(19)5-4-12(17-18)14(20)21-7-6-16/h2-3,8H,4-5,7H2,1H3