phenyl 3-bromanyl-5-nitro-2,6-bis(oxidanyl)benzoate

Systemtic Name: phenyl 3-bromanyl-5-nitro-2,6-bis(oxidanyl)benzoate Openeye Name: phenyl 3-bromo-2,6-dihydroxy-5-nitro-benzoate CAS Name: 3-bromo-2,6-dihydroxy-5-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 3-bromo-2,6-dihydroxy-5-nitrobenzoate Traditional Name: 3-bromo-2,6-dihydroxy-5-nitro-benzoic acid phenyl ester Formula: C13H8BrNO6 MolecularWeight: 354.10972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2O)Br)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2O)Br)[N+](=O)[O-])O

InChI

InChI=1S/C13H8BrNO6/c14-8-6-9(15(19)20)12(17)10(11(8)16)13(18)21-7-4-2-1-3-5-7/h1-6,16-17H