1-bromanyl-3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one

Systemtic Name: 1-bromanyl-3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one Openeye Name: 1-bromo-3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one CAS Name: 1-bromo-3,3-dimethyl-1-(2-nitrophenoxy)-2-butanone IUPAC Name: 1-bromo-3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one Traditional Name: 1-bromo-3,3-dimethyl-1-(2-nitrophenoxy)butan-2-one Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(OC1=CC=CC=C1[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C(=O)C(OC1=CC=CC=C1[N+](=O)[O-])Br

InChI

InChI=1S/C12H14BrNO4/c1-12(2,3)10(15)11(13)18-9-7-5-4-6-8(9)14(16)17/h4-7,11H,1-3H3