(4-nitrophenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(1,3-dioxoisoindolin-2-yl)cyclohexanecarboxylate CAS Name: 4-(1,3-dioxo-2-isoindolyl)-1-cyclohexanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-phthalimidocyclohexanecarboxylic acid (4-nitrophenyl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

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