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

Systemtic Name: (4-chlorophenyl)methyl 4-methylsulfonyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-chlorophenyl)methyl 4-methylsulfonyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-methylsulfonyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-methylsulfonyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-mesyl-butyric acid (4-chlorobenzyl) ester Formula: C20H17ClN2O8S MolecularWeight: 480.87558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O8S/c1-32(29,30)10-9-16(20(26)31-11-12-5-7-13(21)8-6-12)22-18(24)14-3-2-4-15(23(27)28)17(14)19(22)25/h2-8,16H,9-11H2,1H3