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

Systemtic Name: 5-nitro-2-[2-oxidanylidene-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C22H12F3N3O5S MolecularWeight: 487.40799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5)C(F)(F)F

InChI

InChI=1S/C22H12F3N3O5S/c23-22(24,25)11-3-1-4-12(9-11)26-17(16-5-2-8-34-16)18(21(26)31)27-19(29)14-7-6-13(28(32)33)10-15(14)20(27)30/h1-10,17-18H