methyl 4-chloranyl-2-nitro-5-(trifluoromethyloxy)benzoate

Systemtic Name: methyl 4-chloranyl-2-nitro-5-(trifluoromethyloxy)benzoate Openeye Name: methyl 4-chloro-2-nitro-5-(trifluoromethoxy)benzoate CAS Name: 4-chloro-2-nitro-5-(trifluoromethoxy)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-nitro-5-(trifluoromethoxy)benzoate Traditional Name: 4-chloro-2-nitro-5-(trifluoromethoxy)benzoic acid methyl ester Formula: C9H5ClF3NO5 MolecularWeight: 299.58791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5ClF3NO5/c1-18-8(15)4-2-7(19-9(11,12)13)5(10)3-6(4)14(16)17/h2-3H,1H3