2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C16H14N6O3 MolecularWeight: 338.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3/c23-15(10-21-11-18-16(20-21)22(24)25)19-14-3-1-12(2-4-14)9-13-5-7-17-8-6-13/h1-8,11H,9-10H2,(H,19,23)