4,5-dimethyl-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4,5-dimethyl-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4,5-dimethyl-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C12H12N2O2/c1-8-9(2)14(13-11(8)12(15)16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)