(3R)-3-[[2-(2,4-dinitrophenyl)sulfanylphenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[[2-(2,4-dinitrophenyl)sulfanylphenyl]amino]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-(2,4-dinitrophenyl)sulfanylanilino]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-[(2,4-dinitrophenyl)thio]anilino]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-(2,4-dinitrophenyl)sulfanylanilino]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-[(2,4-dinitrophenyl)thio]anilino]phthalide Formula: C20H13N3O6S MolecularWeight: 423.39872

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O6S/c24-20-14-6-2-1-5-13(14)19(29-20)21-15-7-3-4-8-17(15)30-18-10-9-12(22(25)26)11-16(18)23(27)28/h1-11,19,21H/t19-/m1/s1