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

Systemtic Name: 2-[methyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butanoyl)-methyl-amino]benzoic acid CAS Name: 2-[(4-hydroxy-1,4-dioxobutyl)-methylamino]benzoic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutanoyl)-methylamino]benzoic acid Traditional Name: 2-[(4-hydroxy-4-keto-butanoyl)-methyl-amino]benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C12H13NO5/c1-13(10(14)6-7-11(15)16)9-5-3-2-4-8(9)12(17)18/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)