5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxidanylidene-pyridazine-3-carboxylic acid

Systemtic Name: 5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxidanylidene-pyridazine-3-carboxylic acid Openeye Name: 5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-pyridazine-3-carboxylic acid CAS Name: 5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-3-pyridazinecarboxylic acid IUPAC Name: 5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxopyridazine-3-carboxylic acid Traditional Name: 5-cyano-1-(3,4-dimethylphenyl)-6-keto-4-methyl-pyridazine-3-carboxylic acid Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(C(=N2)C(=O)O)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(C(=N2)C(=O)O)C)C#N)C

InChI

InChI=1S/C15H13N3O3/c1-8-4-5-11(6-9(8)2)18-14(19)12(7-16)10(3)13(17-18)15(20)21/h4-6H,1-3H3,(H,20,21)