6-(4-bromophenyl)-2-oxidanylidene-4-(trifluoromethyl)piperidine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-oxidanylidene-4-(trifluoromethyl)piperidine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-oxo-4-(trifluoromethyl)piperidine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-oxo-4-(trifluoromethyl)-3-piperidinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-oxo-4-(trifluoromethyl)piperidine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-keto-4-(trifluoromethyl)nipecotonitrile Formula: C13H10BrF3N2O MolecularWeight: 347.13051

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)NC1C2=CC=C(C=C2)Br)C#N)C(F)(F)F

Isomeric SMILES

C1C(C(C(=O)NC1C2=CC=C(C=C2)Br)C#N)C(F)(F)F

InChI

InChI=1S/C13H10BrF3N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-4,9-11H,5H2,(H,19,20)