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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

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