5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-dione

Systemtic Name: 5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-dione Openeye Name: 5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-dione CAS Name: 5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-dione IUPAC Name: 5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-dione Traditional Name: 5,7-dicyclohexyl-2-nitro-1,7-dihydrobenzimidazole-4,6-quinone Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=O)C(C(=O)C3=C2NC(=N3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2C(=O)C(C(=O)C3=C2NC(=N3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C19H25N3O4/c23-17-13(11-7-3-1-4-8-11)15-16(21-19(20-15)22(25)26)18(24)14(17)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,20,21)