methyl 4-(4-methylphenyl)carbonyl-5-oxidanylidene-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)carbonyl-5-oxidanylidene-1,2-dihydropyrazole-3-carboxylate Openeye Name: methyl 4-(4-methylbenzoyl)-5-oxo-1,2-dihydropyrazole-3-carboxylate CAS Name: 4-[(4-methylphenyl)-oxomethyl]-5-oxo-1,2-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylbenzoyl)-5-oxo-1,2-dihydropyrazole-3-carboxylate Traditional Name: 5-keto-4-p-toluoyl-3-pyrazoline-3-carboxylic acid methyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(NNC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(NNC2=O)C(=O)OC

InChI

InChI=1S/C13H12N2O4/c1-7-3-5-8(6-4-7)11(16)9-10(13(18)19-2)14-15-12(9)17/h3-6H,1-2H3,(H2,14,15,17)