2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Formula: C10H7N4O4- MolecularWeight: 247.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O4/c15-9(16)5-8-11-10(13-12-8)6-1-3-7(4-2-6)14(17)18/h1-4H,5H2,(H,15,16)(H,11,12,13)/p-1