2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl adamantane-1-carboxylate

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c24-18-15-2-1-3-16(23(27)28)17(15)19(25)22(18)4-5-29-20(26)21-9-12-6-13(10-21)8-14(7-12)11-21/h1-3,12-14H,4-11H2