3-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylanilino]-3H-isobenzofuran-1-one CAS Name: 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]anilino]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylanilino]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]anilino]phthalide Formula: C21H13F3N2O4S MolecularWeight: 446.39913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)NC3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N2O4S/c22-21(23,24)12-9-10-18(16(11-12)26(28)29)31-17-8-4-3-7-15(17)25-19-13-5-1-2-6-14(13)20(27)30-19/h1-11,19,25H