3-(4-cyanophenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-5-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

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