2-[1-(4-fluorophenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(4-fluorophenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(4-fluorophenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(4-fluorophenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-fluorophenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C21H12FN3O5S MolecularWeight: 437.400483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3C(N(C3=O)C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3C(N(C3=O)C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C21H12FN3O5S/c22-11-6-8-12(9-7-11)23-17(15-5-2-10-31-15)18(21(23)28)24-19(26)13-3-1-4-14(25(29)30)16(13)20(24)27/h1-10,17-18H