4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]-2-nitro-phenolate Openeye Name: 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]-2-nitro-phenolate CAS Name: 2-nitro-4-[(1E)-1-(1,2,4-triazol-4-ylimino)ethyl]phenolate IUPAC Name: 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]-2-nitrophenolate Traditional Name: 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]-2-nitro-phenolate Formula: C10H8N5O3- MolecularWeight: 246.20222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1C=NN=C1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C(=N\N1C=NN=C1)/C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3/c1-7(13-14-5-11-12-6-14)8-2-3-10(16)9(4-8)15(17)18/h2-6,16H,1H3/p-1/b13-7+