methyl (1S,6R)-4-[(3-cyanophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-4-[(3-cyanophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3-cyanoanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H16N2O3/c1-10-6-13(8-14(19)15(10)16(20)21-2)18-12-5-3-4-11(7-12)9-17/h3-5,7-8,10,15,18H,6H2,1-2H3/t10-,15+/m1/s1