[4-(2-cyanophenyl)phenyl]methyl 1H-pyrazole-5-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1H-pyrazole-5-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=CC=NN3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=CC=NN3

InChI

InChI=1S/C18H13N3O2/c19-11-15-3-1-2-4-16(15)14-7-5-13(6-8-14)12-23-18(22)17-9-10-20-21-17/h1-10H,12H2,(H,20,21)