5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-methoxy-4-nitro-2-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C13H8ClF3N2O5 MolecularWeight: 364.66123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON1C(=C(C(=C1C(F)(F)F)C(=O)O)[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CON1C(=C(C(=C1C(F)(F)F)C(=O)O)[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H8ClF3N2O5/c1-24-18-9(6-2-4-7(14)5-3-6)10(19(22)23)8(12(20)21)11(18)13(15,16)17/h2-5H,1H3,(H,20,21)