5-(bromomethyl)-2-(propanoylamino)benzoic acid

Systemtic Name: 5-(bromomethyl)-2-(propanoylamino)benzoic acid Openeye Name: 5-(bromomethyl)-2-(propanoylamino)benzoic acid CAS Name: 5-(bromomethyl)-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-(bromomethyl)-2-(propanoylamino)benzoic acid Traditional Name: 5-(bromomethyl)-2-propionamido-benzoic acid Formula: C11H12BrNO3 MolecularWeight: 286.12188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CBr)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CBr)C(=O)O

InChI

InChI=1S/C11H12BrNO3/c1-2-10(14)13-9-4-3-7(6-12)5-8(9)11(15)16/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)