sodium 4-(1,3-benzodioxol-5-ylmethylamino)benzoate

Systemtic Name: sodium 4-(1,3-benzodioxol-5-ylmethylamino)benzoate Openeye Name: sodium 4-(1,3-benzodioxol-5-ylmethylamino)benzoate CAS Name: sodium 4-(1,3-benzodioxol-5-ylmethylamino)benzoate IUPAC Name: sodium 4-(1,3-benzodioxol-5-ylmethylamino)benzoate Traditional Name: sodium 4-(piperonylamino)benzoate Formula: C15H12NNaO4 MolecularWeight: 293.24985

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H13NO4.Na/c17-15(18)11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)20-9-19-13;/h1-7,16H,8-9H2,(H,17,18);/q;+1/p-1