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

Systemtic Name: (4-methoxyphenyl) 5-cyano-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: (4-methoxyphenyl) 5-cyano-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-1-methyl-2-oxo-1-cyclohexanecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-cyano-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-1-methyl-cyclohexanecarboxylic acid (4-methoxyphenyl) ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCC1=O)C#N)C(=O)OC2=CC=C(C=C2)OC

Isomeric SMILES

CC1(CC(CCC1=O)C#N)C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H17NO4/c1-16(9-11(10-17)3-8-14(16)18)15(19)21-13-6-4-12(20-2)5-7-13/h4-7,11H,3,8-9H2,1-2H3