4-(3,3-dimethylbutanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 4-(3,3-dimethylbutanoylamino)-2-oxidanyl-benzoate Openeye Name: 4-(3,3-dimethylbutanoylamino)-2-hydroxy-benzoate CAS Name: 4-[(3,3-dimethyl-1-oxobutyl)amino]-2-hydroxybenzoate IUPAC Name: 4-(3,3-dimethylbutanoylamino)-2-hydroxybenzoate Traditional Name: 4-(3,3-dimethylbutanoylamino)-2-hydroxy-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-13(2,3)7-11(16)14-8-4-5-9(12(17)18)10(15)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)(H,17,18)/p-1