4-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(piperonylcarbamoyl)isophthalic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO7/c19-15(11-3-2-10(16(20)21)6-12(11)17(22)23)18-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,18,19)(H,20,21)(H,22,23)