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

Systemtic Name: (phenylmethyl) 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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