2-(2,6-dimethyl-2-nitro-heptyl)-3-methyl-benzo[f]benzimidazole-4,9-dione

Systemtic Name: 2-(2,6-dimethyl-2-nitro-heptyl)-3-methyl-benzo[f]benzimidazole-4,9-dione Openeye Name: 2-(2,6-dimethyl-2-nitro-heptyl)-3-methyl-benzo[f]benzimidazole-4,9-dione CAS Name: 2-(2,6-dimethyl-2-nitroheptyl)-3-methylbenzo[f]benzimidazole-4,9-dione IUPAC Name: 2-(2,6-dimethyl-2-nitroheptyl)-3-methylbenzo[f]benzimidazole-4,9-dione Traditional Name: 2-(2,6-dimethyl-2-nitro-heptyl)-3-methyl-benzo[f]benzimidazole-4,9-quinone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCC(C)(CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-13(2)8-7-11-21(3,24(27)28)12-16-22-17-18(23(16)4)20(26)15-10-6-5-9-14(15)19(17)25/h5-6,9-10,13H,7-8,11-12H2,1-4H3