N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: 2-(methylamino)-5-nitro-N-[2-(piperonylcarbamoyl)phenyl]benzamide Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N4O6/c1-24-18-8-7-15(27(30)31)11-17(18)23(29)26-19-5-3-2-4-16(19)22(28)25-12-14-6-9-20-21(10-14)33-13-32-20/h2-11,24H,12-13H2,1H3,(H,25,28)(H,26,29)