1-methyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-(2,4,6-trimethylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-mesityl-1-methyl-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C(=O)O)C)C

InChI

InChI=1S/C14H16N2O2/c1-8-5-9(2)12(10(3)6-8)13-11(14(17)18)7-16(4)15-13/h5-7H,1-4H3,(H,17,18)