ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-oxo-cyclohexanecarboxylate CAS Name: (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexane-1-carboxylate Traditional Name: (2R,6R)-2,6-bis(4-chlorophenyl)-1-isocyano-4-keto-cyclohexanecarboxylic acid ethyl ester Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(=O)CC1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2NO3/c1-3-28-21(27)22(25-2)19(14-4-8-16(23)9-5-14)12-18(26)13-20(22)15-6-10-17(24)11-7-15/h4-11,19-20H,3,12-13H2,1H3/t19-,20-/m1/s1