[2-bromanyl-4,6-bis(chloranyl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-bromanyl-4,6-bis(chloranyl)phenyl] 3-nitrobenzoate Openeye Name: (2-bromo-4,6-dichloro-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4,6-dichlorophenyl) ester IUPAC Name: (2-bromo-4,6-dichlorophenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4,6-dichloro-phenyl) ester Formula: C13H6BrCl2NO4 MolecularWeight: 391.00104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2Br)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2Br)Cl)Cl

InChI

InChI=1S/C13H6BrCl2NO4/c14-10-5-8(15)6-11(16)12(10)21-13(18)7-2-1-3-9(4-7)17(19)20/h1-6H