2-(3-iodanyl-5-nitro-4-oxidanidyl-phenyl)ethanoate

Systemtic Name: 2-(3-iodanyl-5-nitro-4-oxidanidyl-phenyl)ethanoate Openeye Name: 2-(3-iodo-5-nitro-4-oxido-phenyl)acetate CAS Name: 2-(3-iodo-5-nitro-4-oxidophenyl)acetate IUPAC Name: 2-(3-iodo-5-nitro-4-oxidophenyl)acetate Traditional Name: 2-(3-iodo-5-nitro-4-oxido-phenyl)acetate Formula: C8H4INO5-2 MolecularWeight: 321.02553

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])I)CC(=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])I)CC(=O)[O-]

InChI

InChI=1S/C8H6INO5/c9-5-1-4(3-7(11)12)2-6(8(5)13)10(14)15/h1-2,13H,3H2,(H,11,12)/p-2