N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3,5-dinitro-benzamide Formula: C22H25N3O7 MolecularWeight: 443.4498

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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-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7/c1-31-19-7-6-16(12-20(19)32-2)22(8-4-3-5-9-22)14-23-21(26)15-10-17(24(27)28)13-18(11-15)25(29)30/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,23,26)