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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H24N2O6/c1-11(2)13-8-7-12(3)9-16(13)28-17(23)10-21-19(24)14-5-4-6-15(22(26)27)18(14)20(21)25/h4-6,11-13,16H,7-10H2,1-3H3