5-nitro-3-[(4-nitrophenyl)amino]indol-1-ium-2-one

Systemtic Name: 5-nitro-3-[(4-nitrophenyl)amino]indol-1-ium-2-one Openeye Name: 5-nitro-3-(4-nitroanilino)indol-1-ium-2-one CAS Name: 5-nitro-3-(4-nitroanilino)-2-indol-1-iumone IUPAC Name: 5-nitro-3-(4-nitroanilino)indol-1-ium-2-one Traditional Name: 5-nitro-3-(4-nitroanilino)indol-1-ium-2-one Formula: C14H9N4O5+ MolecularWeight: 313.24506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O5/c19-14-13(15-8-1-3-9(4-2-8)17(20)21)11-7-10(18(22)23)5-6-12(11)16-14/h1-7H,(H,15,16,19)/p+1