(4-bromanyl-2,6-dimethyl-phenyl) 4-nitrobenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-nitrobenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Br

InChI

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