5-(2-ethylbutanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 5-(2-ethylbutanoylamino)-2-oxidanyl-benzoate Openeye Name: 5-(2-ethylbutanoylamino)-2-hydroxy-benzoate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-2-hydroxybenzoate IUPAC Name: 5-(2-ethylbutanoylamino)-2-hydroxybenzoate Traditional Name: 5-(2-ethylbutanoylamino)-2-hydroxy-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-8(4-2)12(16)14-9-5-6-11(15)10(7-9)13(17)18/h5-8,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)/p-1