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

Systemtic Name: (4-aminocarbonylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-carbamoylbenzyl) ester Formula: C16H13N5O3 MolecularWeight: 323.30612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H13N5O3/c17-14(22)12-5-3-11(4-6-12)8-24-16(23)13-2-1-7-19-15(13)21-10-18-9-20-21/h1-7,9-10H,8H2,(H2,17,22)