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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c25-12-21(7-1-2-8-21)23-17-5-4-15(24(27)28)10-16(17)20(26)22-11-14-3-6-18-19(9-14)30-13-29-18/h3-6,9-10,23,25H,1-2,7-8,11-13H2,(H,22,26)