ethyl (1S,6R)-4-[(5-chloranylpyridin-2-yl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6R)-4-[(5-chloranylpyridin-2-yl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-[(5-chloro-2-pyridyl)amino]-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-[(5-chloro-2-pyridinyl)amino]-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-[(5-chloropyridin-2-yl)amino]-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-[(5-chloro-2-pyridyl)amino]-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O3/c1-3-21-15(20)14-9(2)6-11(7-12(14)19)18-13-5-4-10(16)8-17-13/h4-5,7-9,14H,3,6H2,1-2H3,(H,17,18)/t9-,14+/m1/s1