4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile Openeye Name: 4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile CAS Name: 4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)-2-pyrrolecarbonitrile IUPAC Name: 4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile Traditional Name: 4-(4-bromophenyl)-1-(2-ethoxyethyl)-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile Formula: C17H13BrF6N2O MolecularWeight: 455.192339

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=C(C(=C1C(F)(F)F)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

Isomeric SMILES

CCOCCN1C(=C(C(=C1C(F)(F)F)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

InChI

InChI=1S/C17H13BrF6N2O/c1-2-27-8-7-26-12(9-25)14(16(19,20)21)13(15(26)17(22,23)24)10-3-5-11(18)6-4-10/h3-6H,2,7-8H2,1H3