(5-phenyl-1,2-oxazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H13N5O3 MolecularWeight: 347.32752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C18H13N5O3/c24-18(15-7-4-8-20-17(15)23-12-19-11-21-23)25-10-14-9-16(26-22-14)13-5-2-1-3-6-13/h1-9,11-12H,10H2