methyl 5-chloranyl-2-iodanyl-3-nitro-benzoate

Systemtic Name: methyl 5-chloranyl-2-iodanyl-3-nitro-benzoate Openeye Name: methyl 5-chloro-2-iodo-3-nitro-benzoate CAS Name: 5-chloro-2-iodo-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-iodo-3-nitrobenzoate Traditional Name: 5-chloro-2-iodo-3-nitro-benzoic acid methyl ester Formula: C8H5ClINO4 MolecularWeight: 341.48707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1I)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1I)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H5ClINO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3