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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C21H23NO5/c23-17(13-1-2-18-16(8-13)22-19(24)10-26-18)9-27-21(25)20-14-4-11-3-12(6-14)7-15(20)5-11/h1-2,8,11-12,14-15,20H,3-7,9-10H2,(H,22,24)