(5-methyl-2-propan-2-yl-cyclohexyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H26N2O6/c1-14(2)18-11-10-15(3)12-21(18)33-25(30)16-6-4-7-17(13-16)26-23(28)19-8-5-9-20(27(31)32)22(19)24(26)29/h4-9,13-15,18,21H,10-12H2,1-3H3