tert-butyl (3R,4R)-4-(4-bromophenyl)-5-nitro-2-oxidanylidene-3-(phenylmethyl)pentanoate

Systemtic Name: tert-butyl (3R,4R)-4-(4-bromophenyl)-5-nitro-2-oxidanylidene-3-(phenylmethyl)pentanoate Openeye Name: tert-butyl (3R,4R)-3-benzyl-4-(4-bromophenyl)-5-nitro-2-oxo-pentanoate CAS Name: (3R,4R)-4-(4-bromophenyl)-5-nitro-2-oxo-3-(phenylmethyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-benzyl-4-(4-bromophenyl)-5-nitro-2-oxopentanoate Traditional Name: (3R,4R)-3-benzyl-4-(4-bromophenyl)-2-keto-5-nitro-valeric acid tert-butyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(CC1=CC=CC=C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)[C@H](CC1=CC=CC=C1)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H24BrNO5/c1-22(2,3)29-21(26)20(25)18(13-15-7-5-4-6-8-15)19(14-24(27)28)16-9-11-17(23)12-10-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m1/s1