4-[(1R,2S)-1,2-bis(bromanyl)-3-morpholin-4-yl-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2S)-1,2-bis(bromanyl)-3-morpholin-4-yl-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-1,2-dibromo-3-morpholino-3-oxo-propyl]benzonitrile CAS Name: 4-[(1R,2S)-1,2-dibromo-3-(4-morpholinyl)-3-oxopropyl]benzonitrile IUPAC Name: 4-[(1R,2S)-1,2-dibromo-3-morpholin-4-yl-3-oxopropyl]benzonitrile Traditional Name: 4-[(1R,2S)-1,2-dibromo-3-keto-3-morpholino-propyl]benzonitrile Formula: C14H14Br2N2O2 MolecularWeight: 402.08116

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C(C2=CC=C(C=C2)C#N)Br)Br

Isomeric SMILES

C1COCCN1C(=O)[C@@H]([C@@H](C2=CC=C(C=C2)C#N)Br)Br

InChI

InChI=1S/C14H14Br2N2O2/c15-12(11-3-1-10(9-17)2-4-11)13(16)14(19)18-5-7-20-8-6-18/h1-4,12-13H,5-8H2/t12-,13-/m1/s1