methyl 5-(4-bromophenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-(4-bromophenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-(4-bromophenyl)-5-cyano-2-oxo-cyclohexanecarboxylate CAS Name: 5-(4-bromophenyl)-5-cyano-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromophenyl)-5-cyano-2-oxocyclohexane-1-carboxylate Traditional Name: 5-(4-bromophenyl)-5-cyano-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H14BrNO3/c1-20-14(19)12-8-15(9-17,7-6-13(12)18)10-2-4-11(16)5-3-10/h2-5,12H,6-8H2,1H3