[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO4/c1-3-6-15-12(16)8-19-13(17)9-4-5-11(18-2)10(14)7-9/h1,4-5,7H,6,8H2,2H3,(H,15,16)