methyl 2,3,6-tris(chloranyl)-5-nitro-benzoate

Systemtic Name: methyl 2,3,6-tris(chloranyl)-5-nitro-benzoate Openeye Name: methyl 2,3,6-trichloro-5-nitro-benzoate CAS Name: 2,3,6-trichloro-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2,3,6-trichloro-5-nitrobenzoate Traditional Name: 2,3,6-trichloro-5-nitro-benzoic acid methyl ester Formula: C8H4Cl3NO4 MolecularWeight: 284.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H4Cl3NO4/c1-16-8(13)5-6(10)3(9)2-4(7(5)11)12(14)15/h2H,1H3