[1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H24ClNO5/c1-12(19(26)15-2-3-17-16(5-15)24-18(25)10-28-17)29-20(27)21-6-13-4-14(7-21)9-22(23,8-13)11-21/h2-3,5,12-14H,4,6-11H2,1H3,(H,24,25)