methyl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-3-(4-bromo-2-nitro-phenyl)butanoate CAS Name: 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(4-bromo-2-nitro-phenyl)butyric acid methyl ester Formula: C13H14BrNO5 MolecularWeight: 344.15796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO5/c1-7(12(8(2)16)13(17)20-3)10-5-4-9(14)6-11(10)15(18)19/h4-7,12H,1-3H3