N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H23N3O6/c25-16-5-2-14(3-6-16)23-18-7-4-15(24(27)28)10-17(18)21(26)22-11-13-1-8-19-20(9-13)30-12-29-19/h1,4,7-10,14,16,23,25H,2-3,5-6,11-12H2,(H,22,26)