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

Systemtic Name: ethyl (1S,6R)-4-[(3,4-dichlorophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3,4-dichloroanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3,4-dichloroanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3,4-dichloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3,4-dichloroanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H17Cl2NO3 MolecularWeight: 342.21708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=C(C=C2)Cl)Cl)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC(=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C16H17Cl2NO3/c1-3-22-16(21)15-9(2)6-11(8-14(15)20)19-10-4-5-12(17)13(18)7-10/h4-5,7-9,15,19H,3,6H2,1-2H3/t9-,15+/m1/s1