4-[[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-hydroxy-4-oxo-butanoyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-hydroxy-1,4-dioxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-hydroxy-4-oxobutanoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-hydroxy-4-keto-butanoyl)amino]methyl]benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c14-10(5-6-11(15)16)13-7-8-1-3-9(4-2-8)12(17)18/h1-4H,5-7H2,(H,13,14)(H,15,16)(H,17,18)