[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H13NO4/c1-3-7-14-11(15)8-18-13(17)10-6-4-5-9(2)12(10)16/h1,4-6,16H,7-8H2,2H3,(H,14,15)