(4-cyanophenyl)methyl 1-methylpyrazole-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-methylpyrazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=CC(=N1)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O2/c1-16-7-6-12(15-16)13(17)18-9-11-4-2-10(8-14)3-5-11/h2-7H,9H2,1H3