[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-3-6-15-12(16)8-19-13(17)10-7-9(18-2)4-5-11(10)14/h3-5,7H,1,6,8H2,2H3,(H,15,16)