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

Systemtic Name: 2-[1-(4-bromophenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(4-bromophenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(4-bromophenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(4-bromophenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-bromophenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C21H12BrN3O5S MolecularWeight: 498.30608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2C(C(=O)N2C3=CC=C(C=C3)Br)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2C(C(=O)N2C3=CC=C(C=C3)Br)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12BrN3O5S/c22-11-3-5-12(6-4-11)23-17(16-2-1-9-31-16)18(21(23)28)24-19(26)14-8-7-13(25(29)30)10-15(14)20(24)27/h1-10,17-18H