(4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-nitrophenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid (4-nitrophenyl) ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

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