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

Systemtic Name: (4-propylsulfonylphenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-propylsulfonylphenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4-propylsulfonylphenyl)methyl ester IUPAC Name: (4-propylsulfonylphenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4-propylsulfonylbenzyl) ester Formula: C20H18N2O8S MolecularWeight: 446.43052

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8S/c1-2-10-31(28,29)14-8-6-13(7-9-14)12-30-17(23)11-21-19(24)15-4-3-5-16(22(26)27)18(15)20(21)25/h3-9H,2,10-12H2,1H3