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

Systemtic Name: 2-[1-(5-chloranyl-2-methyl-phenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(5-chloro-2-methyl-phenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(5-chloro-2-methylphenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(5-chloro-2-methylphenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-(5-chloro-2-methyl-phenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C22H14ClN3O5S MolecularWeight: 467.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C22H14ClN3O5S/c1-11-4-5-12(23)9-16(11)24-18(17-3-2-8-32-17)19(22(24)29)25-20(27)14-7-6-13(26(30)31)10-15(14)21(25)28/h2-10,18-19H,1H3