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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 3-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-methyl-butyric acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H30N2O6/c1-12(2)15-10-9-14(5)11-18(15)31-23(28)20(13(3)4)24-21(26)16-7-6-8-17(25(29)30)19(16)22(24)27/h6-8,12-15,18,20H,9-11H2,1-5H3