[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19BrN2O6 MolecularWeight: 415.23586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NCC=C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NCC=C)OC

InChI

InChI=1S/C16H19BrN2O6/c1-4-6-18-16(22)19-13(20)9-25-15(21)10-7-11(17)14(24-5-2)12(8-10)23-3/h4,7-8H,1,5-6,9H2,2-3H3,(H2,18,19,20,22)