(2-nitrophenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (2-nitrophenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid (2-nitrobenzyl) ester Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O6/c1-12(2)17(21-18(23)14-8-4-5-9-15(14)19(21)24)20(25)28-11-13-7-3-6-10-16(13)22(26)27/h3-10,12,17H,11H2,1-2H3