5-acetamido-2-(prop-2-ynoylamino)benzoate

Systemtic Name: 5-acetamido-2-(prop-2-ynoylamino)benzoate Openeye Name: 5-acetamido-2-(prop-2-ynoylamino)benzoate CAS Name: 5-acetamido-2-(1-oxoprop-2-ynylamino)benzoate IUPAC Name: 5-acetamido-2-(prop-2-ynoylamino)benzoate Traditional Name: 5-acetamido-2-(propioloylamino)benzoate Formula: C12H9N2O4- MolecularWeight: 245.21086

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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)/p-1