2-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzoic acid CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzoic acid Traditional Name: 2-(piperonylcarbamoyl)benzoic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H13NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,17,18)(H,19,20)