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3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione

3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione

Systemtic Name:3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione
Openeye Name:3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione
CAS Name:3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione
IUPAC Name:3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-dione
Traditional Name:3-methyl-2-[(1-nitrocyclooctyl)methyl]benzo[f]benzimidazole-4,9-quinone
Formula: C21H23N3O4
MolecularWeight: 381.42502
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CC4(CCCCCCC4)[N+](=O)[O-]


Isomeric SMILES

CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CC4(CCCCCCC4)[N+](=O)[O-]


InChI

InChI=1S/C21H23N3O4/c1-23-16(13-21(24(27)28)11-7-3-2-4-8-12-21)22-17-18(23)20(26)15-10-6-5-9-14(15)19(17)25/h5-6,9-10H,2-4,7-8,11-13H2,1H3


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