O1-acetamido O3-[2-(2-azanyl-5-bromanyl-phenyl)-2-oxidanylidene-ethyl] 2,2-diethylpropanedioate

Systemtic Name: O1-acetamido O3-[2-(2-azanyl-5-bromanyl-phenyl)-2-oxidanylidene-ethyl] 2,2-diethylpropanedioate Openeye Name: O1-acetamido O3-[2-(2-amino-5-bromo-phenyl)-2-oxo-ethyl] 2,2-diethylpropanedioate CAS Name: 2,2-diethylpropanedioic acid O1-acetamido ester O3-[2-(2-amino-5-bromophenyl)-2-oxoethyl] ester IUPAC Name: 1-O-acetamido 3-O-[2-(2-amino-5-bromophenyl)-2-oxoethyl] 2,2-diethylpropanedioate Traditional Name: 2,2-diethylmalonic acid O1-acetamido ester O3-[2-(2-amino-5-bromo-phenyl)-2-keto-ethyl] ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCC(=O)C1=C(C=CC(=C1)Br)N)C(=O)ONC(=O)C

Isomeric SMILES

CCC(CC)(C(=O)OCC(=O)C1=C(C=CC(=C1)Br)N)C(=O)ONC(=O)C

InChI

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