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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c1-9-3-6-14(12(16)7-9)21-15(18)11-5-4-10(2)13(8-11)17(19)20/h3-8H,1-2H3