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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

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