N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-veratryl-benzamide Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)OC

InChI

InChI=1S/C22H27N3O6/c1-30-20-10-3-14(11-21(20)31-2)13-23-22(27)18-12-16(25(28)29)6-9-19(18)24-15-4-7-17(26)8-5-15/h3,6,9-12,15,17,24,26H,4-5,7-8,13H2,1-2H3,(H,23,27)