4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-nitro-benzamide CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[cyclopentyl(piperonyl)amino]methyl]-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c22-21(25)15-6-7-16(18(10-15)24(26)27)12-23(17-3-1-2-4-17)11-14-5-8-19-20(9-14)29-13-28-19/h5-10,17H,1-4,11-13H2,(H2,22,25)