O1-tert-butyl O5-[(4-nitrophenyl)methyl] 3-bromanyl-2-oxidanylidene-pentanedioate

Systemtic Name: O1-tert-butyl O5-[(4-nitrophenyl)methyl] 3-bromanyl-2-oxidanylidene-pentanedioate Openeye Name: O1-tert-butyl O5-[(4-nitrophenyl)methyl] 3-bromo-2-oxo-pentanedioate CAS Name: 3-bromo-2-oxopentanedioic acid O1-tert-butyl ester O5-[(4-nitrophenyl)methyl] ester IUPAC Name: 1-O-tert-butyl 5-O-[(4-nitrophenyl)methyl] 3-bromo-2-oxopentanedioate Traditional Name: 3-bromo-2-keto-glutaric acid O1-tert-butyl ester O5-(4-nitrobenzyl) ester Formula: C16H18BrNO7 MolecularWeight: 416.22062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrNO7/c1-16(2,3)25-15(21)14(20)12(17)8-13(19)24-9-10-4-6-11(7-5-10)18(22)23/h4-7,12H,8-9H2,1-3H3