N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[2-(piperonylcarbamoyl)phenyl]benzamide Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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