[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-3-6-14-12(16)8-19-13(17)10-5-4-9(18-2)7-11(10)15/h1,4-5,7,15H,6,8H2,2H3,(H,14,16)