5-chloranyl-3-cyclohexyl-1-[(2-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one

Systemtic Name: 5-chloranyl-3-cyclohexyl-1-[(2-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one Openeye Name: 5-chloro-3-cyclohexyl-1-[(2-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one CAS Name: 5-chloro-3-cyclohexyl-1-[(2-methoxy-4-nitrophenyl)methyl]-2-benzimidazolone IUPAC Name: 5-chloro-3-cyclohexyl-1-[(2-methoxy-4-nitrophenyl)methyl]benzimidazol-2-one Traditional Name: 5-chloro-3-cyclohexyl-1-(2-methoxy-4-nitro-benzyl)benzimidazol-2-one Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCC4

InChI

InChI=1S/C21H22ClN3O4/c1-29-20-12-17(25(27)28)9-7-14(20)13-23-18-10-8-15(22)11-19(18)24(21(23)26)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3