2-methyl-1-(2-methylpropyl)-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]benzo[f]benzimidazol-3-ium-4,9-dione

Systemtic Name: 2-methyl-1-(2-methylpropyl)-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]benzo[f]benzimidazol-3-ium-4,9-dione Openeye Name: 1-isobutyl-2-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]benzo[f]benzimidazol-3-ium-4,9-dione CAS Name: 2-methyl-1-(2-methylpropyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]benzo[f]benzimidazol-3-ium-4,9-dione IUPAC Name: 2-methyl-1-(2-methylpropyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]benzo[f]benzimidazol-3-ium-4,9-dione Traditional Name: 1-isobutyl-3-[2-keto-2-(4-nitrophenyl)ethyl]-2-methyl-benzo[f]benzimidazol-3-ium-4,9-quinone Formula: C24H22N3O5+ MolecularWeight: 432.44858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N3O5/c1-14(2)12-25-15(3)26(13-20(28)16-8-10-17(11-9-16)27(31)32)22-21(25)23(29)18-6-4-5-7-19(18)24(22)30/h4-11,14H,12-13H2,1-3H3/q+1