3-bromanyl-5-methyl-2-(propanoylamino)benzoic acid

Systemtic Name: 3-bromanyl-5-methyl-2-(propanoylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-(propanoylamino)benzoic acid CAS Name: 3-bromo-5-methyl-2-(1-oxopropylamino)benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(propanoylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-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=C1C(=O)O)C)Br

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1C(=O)O)C)Br

InChI

InChI=1S/C11H12BrNO3/c1-3-9(14)13-10-7(11(15)16)4-6(2)5-8(10)12/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16)