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

Systemtic Name: 2-[1-(3-methoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(3-methoxyphenyl)-2-oxo-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(3-methoxyphenyl)-2-oxo-4-thiophen-2-yl-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(3-methoxyphenyl)-2-oxo-4-thiophen-2-ylazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-1-(3-methoxyphenyl)-4-(2-thienyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C22H15N3O6S MolecularWeight: 449.436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C22H15N3O6S/c1-31-13-6-2-5-12(11-13)23-18(16-9-4-10-32-16)19(22(23)28)24-20(26)14-7-3-8-15(25(29)30)17(14)21(24)27/h2-11,18-19H,1H3