4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-phenyl]carbamoyl]benzoic acid CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-chloro-2-(piperonylcarbamoyl)phenyl]carbamoyl]benzoic acid Formula: C23H17ClN2O6 MolecularWeight: 452.84388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17ClN2O6/c24-16-6-7-18(26-21(27)14-2-4-15(5-3-14)23(29)30)17(10-16)22(28)25-11-13-1-8-19-20(9-13)32-12-31-19/h1-10H,11-12H2,(H,25,28)(H,26,27)(H,29,30)