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

Systemtic Name: 5-nitro-2-[(4-oxidanylcyclohexyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O

InChI

InChI=1S/C23H29N3O7/c1-31-20-10-14(11-21(32-2)22(20)33-3)13-24-23(28)18-12-16(26(29)30)6-9-19(18)25-15-4-7-17(27)8-5-15/h6,9-12,15,17,25,27H,4-5,7-8,13H2,1-3H3,(H,24,28)