(4,4-dimethylcyclohexyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-benzoate

Systemtic Name: (4,4-dimethylcyclohexyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-benzoate Openeye Name: (4,4-dimethylcyclohexyl) 3-(1,3-dioxoisoindolin-2-yl)-4-nitro-benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-4-nitrobenzoic acid (4,4-dimethylcyclohexyl) ester IUPAC Name: (4,4-dimethylcyclohexyl) 3-(1,3-dioxoisoindol-2-yl)-4-nitrobenzoate Traditional Name: 4-nitro-3-phthalimido-benzoic acid (4,4-dimethylcyclohexyl) ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1(CCC(CC1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H22N2O6/c1-23(2)11-9-15(10-12-23)31-22(28)14-7-8-18(25(29)30)19(13-14)24-20(26)16-5-3-4-6-17(16)21(24)27/h3-8,13,15H,9-12H2,1-2H3