N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-nitro-benzamide Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCCCC2C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@@H]2CCCC[C@@H]2C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-28-19-10-9-15(12-18(19)24(26)27)22(25)23-17-7-5-4-6-16(17)14-8-11-20(29-2)21(13-14)30-3/h8-13,16-17H,4-7H2,1-3H3,(H,23,25)/t16-,17-/m1/s1