2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)acetamide Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=N2)CC(=O)NCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=N2)CC(=O)NCC3=CC=NC=C3)[N+](=O)[O-]

InChI

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