N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitro-benzamide Openeye Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitro-benzamide CAS Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitrobenzamide Traditional Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitro-benzamide Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N2O5/c1-28-19-10-9-17(14-20(19)29-2)22(11-4-3-5-12-22)15-23-21(25)16-7-6-8-18(13-16)24(26)27/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,23,25)