1-azabicyclo[2.2.2]octan-3-yl 6-chloranyl-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-8-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 6-chloranyl-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-8-carboxylate Openeye Name: quinuclidin-3-yl 6-chloro-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxylate CAS Name: 6-chloro-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 6-chloro-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxylate Traditional Name: 6-chloro-3-keto-2,4-dimethyl-1,4-benzoxazine-8-carboxylic acid quinuclidin-3-yl ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)OC3CN4CCC3CC4)C

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)OC3CN4CCC3CC4)C

InChI

InChI=1S/C18H21ClN2O4/c1-10-17(22)20(2)14-8-12(19)7-13(16(14)24-10)18(23)25-15-9-21-5-3-11(15)4-6-21/h7-8,10-11,15H,3-6,9H2,1-2H3