[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H12ClNO4/c1-3-6-15-12(16)8-19-13(17)10-7-9(14)4-5-11(10)18-2/h1,4-5,7H,6,8H2,2H3,(H,15,16)