diethyl 2-acetamido-2-[2-(2-azanyl-5-bromanyl-phenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(2-azanyl-5-bromanyl-phenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(2-amino-5-bromo-phenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(2-amino-5-bromophenyl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(2-amino-5-bromophenyl)-2-oxoethyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-amino-5-bromo-phenyl)-2-keto-ethyl]malonic acid diethyl ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)Br)N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)Br)N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H21BrN2O6/c1-4-25-15(23)17(20-10(3)21,16(24)26-5-2)9-14(22)12-8-11(18)6-7-13(12)19/h6-8H,4-5,9,19H2,1-3H3,(H,20,21)