diethyl (2S,4S)-3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2,4-dicyano-pentanedioate

Systemtic Name: diethyl (2S,4S)-3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2,4-dicyano-pentanedioate Openeye Name: diethyl (2S,4S)-2,4-dicyano-3-(3,5-dibromo-2-hydroxy-phenyl)pentanedioate CAS Name: (2S,4S)-2,4-dicyano-3-(3,5-dibromo-2-hydroxyphenyl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S,4S)-2,4-dicyano-3-(3,5-dibromo-2-hydroxyphenyl)pentanedioate Traditional Name: (2S,4S)-2,4-dicyano-3-(3,5-dibromo-2-hydroxy-phenyl)glutaric acid diethyl ester Formula: C17H16Br2N2O5 MolecularWeight: 488.12734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC(=CC(=C1O)Br)Br)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(C1=CC(=CC(=C1O)Br)Br)[C@@H](C#N)C(=O)OCC

InChI

InChI=1S/C17H16Br2N2O5/c1-3-25-16(23)11(7-20)14(12(8-21)17(24)26-4-2)10-5-9(18)6-13(19)15(10)22/h5-6,11-12,14,22H,3-4H2,1-2H3/t11-,12-/m1/s1