4-(2-methylpropanoylamino)-3-oxidanyl-benzoic acid

Systemtic Name: 4-(2-methylpropanoylamino)-3-oxidanyl-benzoic acid Openeye Name: 3-hydroxy-4-(2-methylpropanoylamino)benzoic acid CAS Name: 3-hydroxy-4-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-hydroxy-4-(2-methylpropanoylamino)benzoic acid Traditional Name: 3-hydroxy-4-(isobutyrylamino)benzoic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-6(2)10(14)12-8-4-3-7(11(15)16)5-9(8)13/h3-6,13H,1-2H3,(H,12,14)(H,15,16)