(4-bromanyl-2,6-dimethyl-phenyl) 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 2-(4-nitrophenoxy)ethanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C16H14BrNO5/c1-10-7-12(17)8-11(2)16(10)23-15(19)9-22-14-5-3-13(4-6-14)18(20)21/h3-8H,9H2,1-2H3