diethyl (3S,4S,5S)-2-azanyl-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate

Systemtic Name: diethyl (3S,4S,5S)-2-azanyl-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate Openeye Name: diethyl (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate CAS Name: (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyanocyclopentene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyanocyclopentene-1,3-dicarboxylate Traditional Name: (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylic acid diethyl ester Formula: C24H22Cl2N2O4 MolecularWeight: 473.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C([C@@]([C@@H]([C@H]1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(C#N)C(=O)OCC)N

InChI

InChI=1S/C24H22Cl2N2O4/c1-3-31-22(29)19-18(14-5-9-16(25)10-6-14)20(15-7-11-17(26)12-8-15)24(13-27,21(19)28)23(30)32-4-2/h5-12,18,20H,3-4,28H2,1-2H3/t18-,20+,24-/m0/s1