2-acetyloxy-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 2-acetyloxy-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 2-acetoxy-5-[(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid CAS Name: 2-acetyloxy-5-[(4-hydroxy-1,4-dioxobutyl)amino]benzoic acid IUPAC Name: 2-acetyloxy-5-[(4-hydroxy-4-oxobutanoyl)amino]benzoic acid Traditional Name: 2-acetoxy-5-[(4-hydroxy-4-keto-butanoyl)amino]benzoic acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO7/c1-7(15)21-10-3-2-8(6-9(10)13(19)20)14-11(16)4-5-12(17)18/h2-3,6H,4-5H2,1H3,(H,14,16)(H,17,18)(H,19,20)