2-[(4-methylphenyl)methyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)methyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid Openeye Name: 5-oxo-2-(p-tolylmethyl)-1H-pyrazole-4-carboxylic acid CAS Name: 2-[(4-methylphenyl)methyl]-5-oxo-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-[(4-methylphenyl)methyl]-5-oxo-1H-pyrazole-4-carboxylic acid Traditional Name: 3-keto-1-(4-methylbenzyl)-3-pyrazoline-4-carboxylic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-8-2-4-9(5-3-8)6-14-7-10(12(16)17)11(15)13-14/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17)