1-[3-cyano-4-(4-methylphenyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-cyano-4-(4-methylphenyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-cyano-4-(p-tolyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-cyano-4-(4-methylphenyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-cyano-4-(4-methylphenyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-cyano-4-(p-tolyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)N3C=C(C=N3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)N3C=C(C=N3)C(=O)O)C#N

InChI

InChI=1S/C18H13N3O2/c1-12-2-4-13(5-3-12)17-7-6-16(8-14(17)9-19)21-11-15(10-20-21)18(22)23/h2-8,10-11H,1H3,(H,22,23)