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

Systemtic Name: 3-[(4-chloranyl-3-methoxy-phenyl)methyl]-1-cyclopentyl-5-nitro-benzimidazol-2-one Openeye Name: 3-[(4-chloro-3-methoxy-phenyl)methyl]-1-cyclopentyl-5-nitro-benzimidazol-2-one CAS Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-cyclopentyl-5-nitro-2-benzimidazolone IUPAC Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-cyclopentyl-5-nitrobenzimidazol-2-one Traditional Name: 3-(4-chloro-3-methoxy-benzyl)-1-cyclopentyl-5-nitro-benzimidazol-2-one Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCCC4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCCC4)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-28-19-10-13(6-8-16(19)21)12-22-18-11-15(24(26)27)7-9-17(18)23(20(22)25)14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3