methyl 4-chloranyl-2-iodanyl-5-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-2-iodanyl-5-nitro-benzoate Openeye Name: methyl 4-chloro-2-iodo-5-nitro-benzoate CAS Name: 4-chloro-2-iodo-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-iodo-5-nitrobenzoate Traditional Name: 4-chloro-2-iodo-5-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(=C(C=C1I)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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