(2-methylphenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (2-methylphenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: o-tolylmethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid (2-methylbenzyl) ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H14N4O2/c1-12-4-2-3-5-14(12)9-22-16(21)13-6-7-15(18-8-13)20-11-17-10-19-20/h2-8,10-11H,9H2,1H3