5-nitro-2-(4-nitrophenyl)-1-oxidanidyl-indol-1-ium-3-one

Systemtic Name: 5-nitro-2-(4-nitrophenyl)-1-oxidanidyl-indol-1-ium-3-one Openeye Name: 5-nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one CAS Name: 5-nitro-2-(4-nitrophenyl)-1-oxido-3-indol-1-iumone IUPAC Name: 5-nitro-2-(4-nitrophenyl)-1-oxidoindol-1-ium-3-one Traditional Name: 5-nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one Formula: C14H7N3O6 MolecularWeight: 313.22188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O6/c18-14-11-7-10(17(22)23)5-6-12(11)15(19)13(14)8-1-3-9(4-2-8)16(20)21/h1-7H