[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H14BrNO5 MolecularWeight: 356.16866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C14H14BrNO5/c1-4-5-16-12(17)8-21-14(18)9-6-10(19-2)13(15)11(7-9)20-3/h1,6-7H,5,8H2,2-3H3,(H,16,17)