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

Systemtic Name: ethyl (1S,6R)-4-[(2-chlorophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(2-chloroanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(2-chloroanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(2-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(2-chloroanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2Cl)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H18ClNO3/c1-3-21-16(20)15-10(2)8-11(9-14(15)19)18-13-7-5-4-6-12(13)17/h4-7,9-10,15,18H,3,8H2,1-2H3/t10-,15+/m1/s1