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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloranylcyclohexyl)amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorocyclohexyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorocyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorocyclohexyl)amino]-5-nitrobenzamide Traditional Name: 2-[(4-chlorocyclohexyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c22-14-2-4-15(5-3-14)24-18-7-6-16(25(27)28)10-17(18)21(26)23-11-13-1-8-19-20(9-13)30-12-29-19/h1,6-10,14-15,24H,2-5,11-12H2,(H,23,26)