nitro-[1-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]azanide

Systemtic Name: nitro-[1-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]azanide Openeye Name: nitro-[1-[2-(4-nitroanilino)-2-oxo-ethyl]-1,2,4-triazol-4-ium-4-yl]azanide CAS Name: nitro-[1-[2-(4-nitroanilino)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]azanide IUPAC Name: nitro-[1-[2-(4-nitroanilino)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]azanide Traditional Name: [1-[2-keto-2-(4-nitroanilino)ethyl]-1,2,4-triazol-4-ium-4-yl]-nitro-azanide Formula: C10H9N7O5 MolecularWeight: 307.22236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CN2C=[N+](C=N2)[N-][N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CN2C=[N+](C=N2)[N-][N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N7O5/c18-10(5-14-7-15(6-11-14)13-17(21)22)12-8-1-3-9(4-2-8)16(19)20/h1-4,6-7H,5H2,(H,12,18)