(2-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (2-cyanobenzyl) ester Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C#N

InChI

InChI=1S/C16H11N5O2/c17-8-12-4-1-2-5-13(12)9-23-16(22)14-6-3-7-19-15(14)21-11-18-10-20-21/h1-7,10-11H,9H2