5-methyl-1-(4-methylphenyl)-4H-pyrazole-3,5-dicarboxylic acid

Systemtic Name: 5-methyl-1-(4-methylphenyl)-4H-pyrazole-3,5-dicarboxylic acid Openeye Name: 5-methyl-1-(p-tolyl)-4H-pyrazole-3,5-dicarboxylic acid CAS Name: 5-methyl-1-(4-methylphenyl)-4H-pyrazole-3,5-dicarboxylic acid IUPAC Name: 5-methyl-1-(4-methylphenyl)-4H-pyrazole-3,5-dicarboxylic acid Traditional Name: 5-methyl-1-(p-tolyl)-2-pyrazoline-3,5-dicarboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-8-3-5-9(6-4-8)15-13(2,12(18)19)7-10(14-15)11(16)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)