3-acetamido-4-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-acetamido-4-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-acetamido-4-(3,4-dihydroxyphenyl)-2-hydroxy-4-oxo-butanoic acid CAS Name: 3-acetamido-4-(3,4-dihydroxyphenyl)-2-hydroxy-4-oxobutanoic acid IUPAC Name: 3-acetamido-4-(3,4-dihydroxyphenyl)-2-hydroxy-4-oxobutanoic acid Traditional Name: 3-acetamido-4-(3,4-dihydroxyphenyl)-2-hydroxy-4-keto-butyric acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C(=O)O)O)C(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(=O)NC(C(C(=O)O)O)C(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H13NO7/c1-5(14)13-9(11(18)12(19)20)10(17)6-2-3-7(15)8(16)4-6/h2-4,9,11,15-16,18H,1H3,(H,13,14)(H,19,20)