2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H13N4O4+ MolecularWeight: 385.35232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O4/c26-20-15-10-9-14(25(28)29)11-16(15)21(27)24(20)13-7-5-12(6-8-13)19-22-17-3-1-2-4-18(17)23-19/h1-11H,(H,22,23)/p+1