methyl 3-bromanyl-4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethoxy]benzoate Openeye Name: methyl 4-[2-(allylcarbamoylamino)-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 3-bromo-4-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethoxy]benzoate Traditional Name: 4-[2-(allylcarbamoylamino)-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C14H15BrN2O5 MolecularWeight: 371.1833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NCC=C)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NCC=C)Br

InChI

InChI=1S/C14H15BrN2O5/c1-3-6-16-14(20)17-12(18)8-22-11-5-4-9(7-10(11)15)13(19)21-2/h3-5,7H,1,6,8H2,2H3,(H2,16,17,18,20)