[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 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 [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 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-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H17FN2O7 MolecularWeight: 428.367283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7/c1-11(2)18(21(28)31-10-16(25)12-6-8-13(22)9-7-12)23-19(26)14-4-3-5-15(24(29)30)17(14)20(23)27/h3-9,11,18H,10H2,1-2H3