(5-nitro-3-oxidanidyl-benzotriazol-3-ium-1-yl)-phenyl-methanone

Systemtic Name: (5-nitro-3-oxidanidyl-benzotriazol-3-ium-1-yl)-phenyl-methanone Openeye Name: (5-nitro-3-oxido-benzotriazol-3-ium-1-yl)-phenyl-methanone CAS Name: (5-nitro-3-oxido-1-benzotriazol-3-iumyl)-phenylmethanone IUPAC Name: (5-nitro-3-oxidobenzotriazol-3-ium-1-yl)-phenylmethanone Traditional Name: (5-nitro-3-oxido-benzotriazol-3-ium-1-yl)-phenyl-methanone Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=N2)[O-]

InChI

InChI=1S/C13H8N4O4/c18-13(9-4-2-1-3-5-9)15-11-7-6-10(17(20)21)8-12(11)16(19)14-15/h1-8H