2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl adamantane-1-carboxylate

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(1,3-diketo-5-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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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