3-bromanyl-5-nitro-2-oxidanidyl-4-oxidanyl-benzoate

Systemtic Name: 3-bromanyl-5-nitro-2-oxidanidyl-4-oxidanyl-benzoate Openeye Name: 3-bromo-4-hydroxy-5-nitro-2-oxido-benzoate CAS Name: 3-bromo-4-hydroxy-5-nitro-2-oxidobenzoate IUPAC Name: 3-bromo-4-hydroxy-5-nitro-2-oxidobenzoate Traditional Name: 3-bromo-4-hydroxy-5-nitro-2-oxido-benzoate Formula: C7H2BrNO6-2 MolecularWeight: 275.99788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1[N+](=O)[O-])O)Br)[O-])C(=O)[O-]

Isomeric SMILES

C1=C(C(=C(C(=C1[N+](=O)[O-])O)Br)[O-])C(=O)[O-]

InChI

InChI=1S/C7H4BrNO6/c8-4-5(10)2(7(12)13)1-3(6(4)11)9(14)15/h1,10-11H,(H,12,13)/p-2