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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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