4-[(4-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 4-[(4-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 4-[(5-hydroxy-4-methyl-5-oxo-pentanoyl)amino]benzoic acid CAS Name: 4-[(5-hydroxy-4-methyl-1,5-dioxopentyl)amino]benzoic acid IUPAC Name: 4-[(5-hydroxy-4-methyl-5-oxopentanoyl)amino]benzoic acid Traditional Name: 4-[(5-hydroxy-5-keto-4-methyl-pentanoyl)amino]benzoic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(CCC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO5/c1-8(12(16)17)2-7-11(15)14-10-5-3-9(4-6-10)13(18)19/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)(H,18,19)