3-[(4-methyl-2-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 3-[(4-methyl-2-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 3-[(4-methyl-2-oxo-pentanoyl)amino]benzoic acid CAS Name: 3-[(4-methyl-1,2-dioxopentyl)amino]benzoic acid IUPAC Name: 3-[(4-methyl-2-oxopentanoyl)amino]benzoic acid Traditional Name: 3-[(2-keto-4-methyl-pentanoyl)amino]benzoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-8(2)6-11(15)12(16)14-10-5-3-4-9(7-10)13(17)18/h3-5,7-8H,6H2,1-2H3,(H,14,16)(H,17,18)