2-(4-nitrophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 2-(4-nitrophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: 2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-(4-nitrophenyl)-1H-1,2,4-triazole-5-carboxylate Formula: C9H5N4O5- MolecularWeight: 249.1598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)N=C(N2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)N=C(N2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6N4O5/c14-8(15)7-10-9(16)12(11-7)5-1-3-6(4-2-5)13(17)18/h1-4H,(H,14,15)(H,10,11,16)/p-1