3-(2,2-dimethylbutanoylamino)-2,4-bis(oxidanyl)benzoic acid

Systemtic Name: 3-(2,2-dimethylbutanoylamino)-2,4-bis(oxidanyl)benzoic acid Openeye Name: 3-(2,2-dimethylbutanoylamino)-2,4-dihydroxy-benzoic acid CAS Name: 3-[(2,2-dimethyl-1-oxobutyl)amino]-2,4-dihydroxybenzoic acid IUPAC Name: 3-(2,2-dimethylbutanoylamino)-2,4-dihydroxybenzoic acid Traditional Name: 3-(2,2-dimethylbutanoylamino)-2,4-dihydroxy-benzoic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=C(C=CC(=C1O)C(=O)O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=C(C=CC(=C1O)C(=O)O)O

InChI

InChI=1S/C13H17NO5/c1-4-13(2,3)12(19)14-9-8(15)6-5-7(10(9)16)11(17)18/h5-6,15-16H,4H2,1-3H3,(H,14,19)(H,17,18)