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

Systemtic Name: 2-[1-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(4-chloro-2-nitro-phenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-chloro-2-nitro-phenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C21H11ClN4O7S MolecularWeight: 498.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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