4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrole-1-carboxylic acid

Systemtic Name: 4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrole-1-carboxylic acid Openeye Name: 4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrole-1-carboxylic acid CAS Name: 4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)-1-pyrrolecarboxylic acid IUPAC Name: 4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrole-1-carboxylic acid Traditional Name: 4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrole-1-carboxylic acid Formula: C13H5BrClF3N2O2 MolecularWeight: 393.54321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(N2C(=O)O)C(F)(F)F)Br)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(N2C(=O)O)C(F)(F)F)Br)C#N)Cl

InChI

InChI=1S/C13H5BrClF3N2O2/c14-9-8(5-19)10(6-1-3-7(15)4-2-6)20(12(21)22)11(9)13(16,17)18/h1-4H,(H,21,22)