[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-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(=C(C=C1)O)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NCC#C

InChI

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