5-acetamido-2-(prop-2-ynoylamino)benzoic acid

Systemtic Name: 5-acetamido-2-(prop-2-ynoylamino)benzoic acid Openeye Name: 5-acetamido-2-(prop-2-ynoylamino)benzoic acid CAS Name: 5-acetamido-2-(1-oxoprop-2-ynylamino)benzoic acid IUPAC Name: 5-acetamido-2-(prop-2-ynoylamino)benzoic acid Traditional Name: 5-acetamido-2-(propioloylamino)benzoic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C#C)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C#C)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-3-11(16)14-10-5-4-8(13-7(2)15)6-9(10)12(17)18/h1,4-6H,2H3,(H,13,15)(H,14,16)(H,17,18)