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

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(3-chloro-4-methylphenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-2-keto-4-(2-thienyl)azetidin-3-yl]-4-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)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5)Cl

Isomeric SMILES

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

InChI

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