1-(3-cyano-4-phenyl-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyano-4-phenyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyano-4-phenyl-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyano-4-phenylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyano-4-phenylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyano-4-phenyl-phenyl)pyrazole-4-carboxylic acid Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O2/c18-9-13-8-15(20-11-14(10-19-20)17(21)22)6-7-16(13)12-4-2-1-3-5-12/h1-8,10-11H,(H,21,22)