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

Systemtic Name: methyl (1S,6R)-4-[(5-chloranylpyridin-2-yl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C14H15ClN2O3 MolecularWeight: 294.7335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3/c1-8-5-10(6-11(18)13(8)14(19)20-2)17-12-4-3-9(15)7-16-12/h3-4,6-8,13H,5H2,1-2H3,(H,16,17)/t8-,13+/m1/s1