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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[2-(piperonylcarbamoyl)phenyl]benzamide Formula: C22H16ClN3O6 MolecularWeight: 453.83194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O6/c23-16-7-6-14(10-18(16)26(29)30)21(27)25-17-4-2-1-3-15(17)22(28)24-11-13-5-8-19-20(9-13)32-12-31-19/h1-10H,11-12H2,(H,24,28)(H,25,27)