7-nitro-3-oxidanidyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-3-ium-4-amine

Systemtic Name: 7-nitro-3-oxidanidyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-3-ium-4-amine Openeye Name: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine CAS Name: 7-nitro-3-oxido-N-(phenylmethyl)-2,1,3-benzoxadiazol-3-ium-4-amine IUPAC Name: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine Traditional Name: benzyl-(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)amine Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4/c18-16(19)11-7-6-10(13-12(11)15-21-17(13)20)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2