3-ethynyl-2-(propanoylamino)benzoic acid

Systemtic Name: 3-ethynyl-2-(propanoylamino)benzoic acid Openeye Name: 3-ethynyl-2-(propanoylamino)benzoic acid CAS Name: 3-ethynyl-2-(1-oxopropylamino)benzoic acid IUPAC Name: 3-ethynyl-2-(propanoylamino)benzoic acid Traditional Name: 3-ethynyl-2-propionamido-benzoic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC=C1C(=O)O)C#C

Isomeric SMILES

CCC(=O)NC1=C(C=CC=C1C(=O)O)C#C

InChI

InChI=1S/C12H11NO3/c1-3-8-6-5-7-9(12(15)16)11(8)13-10(14)4-2/h1,5-7H,4H2,2H3,(H,13,14)(H,15,16)