(2-bromanyl-4-ethanoyl-phenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-bromanyl-4-ethanoyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-acetyl-2-bromo-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-acetyl-2-bromophenyl) ester IUPAC Name: (4-acetyl-2-bromophenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-acetyl-2-bromo-phenyl) ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO5/c1-9-3-4-12(8-14(9)18(21)22)16(20)23-15-6-5-11(10(2)19)7-13(15)17/h3-8H,1-2H3