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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-2-nitrobenzamide Traditional Name: 3-methyl-2-nitro-N-[2-(piperonylcarbamoyl)phenyl]benzamide Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19N3O6/c1-14-5-4-7-17(21(14)26(29)30)23(28)25-18-8-3-2-6-16(18)22(27)24-12-15-9-10-19-20(11-15)32-13-31-19/h2-11H,12-13H2,1H3,(H,24,27)(H,25,28)