5-(3-methylbutanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 5-(3-methylbutanoylamino)-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-(3-methylbutanoylamino)benzoate CAS Name: 2-hydroxy-5-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 2-hydroxy-5-(3-methylbutanoylamino)benzoate Traditional Name: 2-hydroxy-5-(isovalerylamino)benzoate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-7(2)5-11(15)13-8-3-4-10(14)9(6-8)12(16)17/h3-4,6-7,14H,5H2,1-2H3,(H,13,15)(H,16,17)/p-1