1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-dione

Systemtic Name: 1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-dione Openeye Name: 1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-dione CAS Name: 1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-dione IUPAC Name: 1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-dione Traditional Name: 1,5,6-trimethyl-2-[(1-nitrocyclohexyl)methyl]benzimidazole-4,7-quinone Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N=C(N2C)CC3(CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N=C(N2C)CC3(CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O4/c1-10-11(2)16(22)14-13(15(10)21)18-12(19(14)3)9-17(20(23)24)7-5-4-6-8-17/h4-9H2,1-3H3