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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl cyclohexanecarboxylate Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-(1,3-diketo-4-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c20-15-12-7-4-8-13(19(23)24)14(12)16(21)18(15)9-10-25-17(22)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2