ethyl (2R,3S)-5-(4-chlorophenyl)-2-cyano-3-(4-nitrophenyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl (2R,3S)-5-(4-chlorophenyl)-2-cyano-3-(4-nitrophenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl (2R,3S)-5-(4-chlorophenyl)-2-cyano-3-(4-nitrophenyl)-5-oxo-pentanoate CAS Name: (2R,3S)-5-(4-chlorophenyl)-2-cyano-3-(4-nitrophenyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-5-(4-chlorophenyl)-2-cyano-3-(4-nitrophenyl)-5-oxopentanoate Traditional Name: (2R,3S)-5-(4-chlorophenyl)-2-cyano-5-keto-3-(4-nitrophenyl)valeric acid ethyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](C#N)[C@H](CC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O5/c1-2-28-20(25)18(12-22)17(13-5-9-16(10-6-13)23(26)27)11-19(24)14-3-7-15(21)8-4-14/h3-10,17-18H,2,11H2,1H3/t17-,18+/m1/s1