nitro-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]azanide

Systemtic Name: nitro-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]azanide Openeye Name: (1-benzyl-1,2,4-triazol-4-ium-4-yl)-nitro-azanide CAS Name: nitro-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]azanide IUPAC Name: (1-benzyl-1,2,4-triazol-4-ium-4-yl)-nitroazanide Traditional Name: (1-benzyl-1,2,4-triazol-4-ium-4-yl)-nitro-azanide Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2/c15-14(16)11-13-7-10-12(8-13)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2