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

Systemtic Name: N-[(3,4-dimethylphenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(3,4-dimethylphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethylphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethylphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(3,4-dimethylbenzyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)C

InChI

InChI=1S/C22H27N3O4/c1-14-3-4-16(11-15(14)2)13-23-22(27)20-12-18(25(28)29)7-10-21(20)24-17-5-8-19(26)9-6-17/h3-4,7,10-12,17,19,24,26H,5-6,8-9,13H2,1-2H3,(H,23,27)