diethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoylamino]propanedioate

Systemtic Name: diethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoylamino]propanedioate Openeye Name: diethyl 2-[(4-bromo-2-fluoro-phenyl)carbamoylamino]propanedioate CAS Name: 2-[[(4-bromo-2-fluoroanilino)-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromo-2-fluorophenyl)carbamoylamino]propanedioate Traditional Name: 2-[(4-bromo-2-fluoro-phenyl)carbamoylamino]malonic acid diethyl ester Formula: C14H16BrFN2O5 MolecularWeight: 391.189643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)NC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)NC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C14H16BrFN2O5/c1-3-22-12(19)11(13(20)23-4-2)18-14(21)17-10-6-5-8(15)7-9(10)16/h5-7,11H,3-4H2,1-2H3,(H2,17,18,21)