4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(piperonylamino)butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-11(3-4-12(15)16)13-6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5H,3-4,6-7H2,(H,13,14)(H,15,16)