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

Systemtic Name: (1S,6R)-4-[(4-chlorophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-4-(4-chloroanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-4-(4-chloroanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-4-(4-chloroanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C14H14ClNO3 MolecularWeight: 279.71886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3/c1-8-6-11(7-12(17)13(8)14(18)19)16-10-4-2-9(15)3-5-10/h2-5,7-8,13,16H,6H2,1H3,(H,18,19)/t8-,13+/m1/s1