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

Systemtic Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[3-(3-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(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CC(=O)NCC3=CN=CC=C3

InChI

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