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

Systemtic Name: 2-[(2-azanylcyclohexyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-benzamide Openeye Name: 2-[(2-aminocyclohexyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-benzamide CAS Name: 2-[(2-aminocyclohexyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-5-nitrobenzamide IUPAC Name: 2-[(2-aminocyclohexyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-5-nitrobenzamide Traditional Name: 2-[(2-aminocyclohexyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C(C1)N)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5/c22-16-3-1-2-4-18(16)24-17-7-6-14(25(27)28)10-15(17)21(26)23-11-13-5-8-19-20(9-13)30-12-29-19/h5-10,16,18,24H,1-4,11-12,22H2,(H,23,26)