2,4,5-tris(chloranyl)-6-[(2S)-pyrrolidin-2-yl]carbonyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2,4,5-tris(chloranyl)-6-[(2S)-pyrrolidin-2-yl]carbonyl-benzene-1,3-dicarbonitrile Openeye Name: 2,4,5-trichloro-6-[(2S)-pyrrolidine-2-carbonyl]benzene-1,3-dicarbonitrile CAS Name: 2,4,5-trichloro-6-[oxo-[(2S)-2-pyrrolidinyl]methyl]benzene-1,3-dicarbonitrile IUPAC Name: 2,4,5-trichloro-6-[(2S)-pyrrolidine-2-carbonyl]benzene-1,3-dicarbonitrile Traditional Name: 2,4,5-trichloro-6-[(2S)-prolyl]isophthalonitrile Formula: C13H8Cl3N3O MolecularWeight: 328.58112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)C#N

Isomeric SMILES

C1C[C@H](NC1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)C#N

InChI

InChI=1S/C13H8Cl3N3O/c14-10-6(4-17)9(12(16)11(15)7(10)5-18)13(20)8-2-1-3-19-8/h8,19H,1-3H2/t8-/m0/s1