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

Systemtic Name: 2-[1-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(4-chloro-2-nitro-phenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-chloro-2-nitro-phenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C21H11ClN4O7S MolecularWeight: 498.85264

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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=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClN4O7S/c22-10-6-7-12(14(9-10)26(32)33)23-17(15-5-2-8-34-15)18(21(23)29)24-19(27)11-3-1-4-13(25(30)31)16(11)20(24)28/h1-9,17-18H