4-methyl-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 3-[(4-hydroxy-4-oxo-butanoyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(4-hydroxy-1,4-dioxobutyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-hydroxy-4-oxobutanoyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(4-hydroxy-4-keto-butanoyl)amino]-4-methyl-benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC(=O)O

InChI

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