methyl 1-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrazole-3-carboxylate Openeye Name: methyl 4,5-dioxo-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 1-(4-methylphenyl)-4,5-dioxo-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)-4,5-dioxopyrazole-3-carboxylate Traditional Name: 4,5-diketo-1-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=O)C(=N2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=O)C(=N2)C(=O)OC

InChI

InChI=1S/C12H10N2O4/c1-7-3-5-8(6-4-7)14-11(16)10(15)9(13-14)12(17)18-2/h3-6H,1-2H3