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

Systemtic Name: 3-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butanoic acid CAS Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoic acid IUPAC Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-(piperonylamino)butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC(=O)O)N

InChI

InChI=1S/C12H14N2O5/c13-8(4-11(15)16)12(17)14-5-7-1-2-9-10(3-7)19-6-18-9/h1-3,8H,4-6,13H2,(H,14,17)(H,15,16)