4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-keto-butyric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CCC(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CCC(=O)O

InChI

InChI=1S/C13H15NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17)