cyclohexyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: cyclohexyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid cyclohexyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6/c19-13(24-10-5-2-1-3-6-10)9-17-15(20)11-7-4-8-12(18(22)23)14(11)16(17)21/h4,7-8,10H,1-3,5-6,9H2