4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-keto-butyric acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCC(=O)O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCC(=O)O)OCO2

InChI

InChI=1S/C13H13NO6/c1-7(15)8-4-10-11(20-6-19-10)5-9(8)14-12(16)2-3-13(17)18/h4-5H,2-3,6H2,1H3,(H,14,16)(H,17,18)