N-[(4-cyanophenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(4-cyanobenzyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H22N4O4/c22-12-14-1-3-15(4-2-14)13-23-21(27)19-11-17(25(28)29)7-10-20(19)24-16-5-8-18(26)9-6-16/h1-4,7,10-11,16,18,24,26H,5-6,8-9,13H2,(H,23,27)