1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-phenylpyrazole-3-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16N2O2/c1-12-8-9-15(10-13(12)2)20-17(11-16(19-20)18(21)22)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22)