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

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl] 4-nitrobenzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(1,3-dioxo-2-isoindolyl)cyclohexyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)cyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-phthalimidocyclohexyl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O6/c24-19-17-6-1-2-7-18(17)20(25)22(19)15-4-3-5-16(12-15)29-21(26)13-8-10-14(11-9-13)23(27)28/h1-2,6-11,15-16H,3-5,12H2