N-[(4-chloranyl-3-ethoxy-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(4-chloranyl-3-ethoxy-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(4-chloro-3-ethoxy-phenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(4-chloro-3-ethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(4-chloro-3-ethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(4-chloro-3-ethoxy-benzyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)Cl

InChI

InChI=1S/C22H26ClN3O5/c1-2-31-21-11-14(3-9-19(21)23)13-24-22(28)18-12-16(26(29)30)6-10-20(18)25-15-4-7-17(27)8-5-15/h3,6,9-12,15,17,25,27H,2,4-5,7-8,13H2,1H3,(H,24,28)