(3-cyano-4-phenyl-phenyl)methyl 1H-pyrazole-5-carboxylate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 1H-pyrazole-5-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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