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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl cyclohexanecarboxylate Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-(1,3-diketo-5-nitro-isoindolin-2-yl)ethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c20-15-13-7-6-12(19(23)24)10-14(13)16(21)18(15)8-9-25-17(22)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2