tert-butyl 4-(5-bromanyl-2-oxidanyl-phenyl)-3-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-(5-bromanyl-2-oxidanyl-phenyl)-3-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-(5-bromo-2-hydroxy-phenyl)-3-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-hydroxyphenyl)-3-(4-nitrophenyl)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-bromo-2-hydroxyphenyl)-3-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-4-keto-3-(4-nitrophenyl)butyric acid tert-butyl ester Formula: C20H20BrNO6 MolecularWeight: 450.2799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO6/c1-20(2,3)28-18(24)11-15(12-4-7-14(8-5-12)22(26)27)19(25)16-10-13(21)6-9-17(16)23/h4-10,15,23H,11H2,1-3H3