ethyl 5-(3-bromanyl-4-ethoxy-phenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-(3-bromanyl-4-ethoxy-phenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-(3-bromo-4-ethoxy-phenyl)-5-cyano-2-oxo-cyclohexanecarboxylate CAS Name: 5-(3-bromo-4-ethoxyphenyl)-5-cyano-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-bromo-4-ethoxyphenyl)-5-cyano-2-oxocyclohexane-1-carboxylate Traditional Name: 5-(3-bromo-4-ethoxy-phenyl)-5-cyano-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)OCC)C#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)OCC)C#N)Br

InChI

InChI=1S/C18H20BrNO4/c1-3-23-16-6-5-12(9-14(16)19)18(11-20)8-7-15(21)13(10-18)17(22)24-4-2/h5-6,9,13H,3-4,7-8,10H2,1-2H3