ditert-butyl 2-[(1S)-1-(2-bromophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: ditert-butyl 2-[(1S)-1-(2-bromophenyl)-2-nitro-ethyl]propanedioate Openeye Name: ditert-butyl 2-[(1S)-1-(2-bromophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(2-bromophenyl)-2-nitroethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(1S)-1-(2-bromophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(2-bromophenyl)-2-nitro-ethyl]malonic acid ditert-butyl ester Formula: C19H26BrNO6 MolecularWeight: 444.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C([C@H](C[N+](=O)[O-])C1=CC=CC=C1Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26BrNO6/c1-18(2,3)26-16(22)15(17(23)27-19(4,5)6)13(11-21(24)25)12-9-7-8-10-14(12)20/h7-10,13,15H,11H2,1-6H3/t13-/m1/s1