2-(2-fluorophenyl)sulfanylethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C18H13FN2O6S MolecularWeight: 404.369023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCOC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCOC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13FN2O6S/c19-14-3-1-2-4-15(14)28-8-7-27-16(22)10-20-17(23)12-6-5-11(21(25)26)9-13(12)18(20)24/h1-6,9H,7-8,10H2