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

Systemtic Name: (3R)-3-[[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]amino]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-(4-chloro-2-nitro-phenyl)sulfanylanilino]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-[(4-chloro-2-nitrophenyl)thio]anilino]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-(4-chloro-2-nitrophenyl)sulfanylanilino]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-[(4-chloro-2-nitro-phenyl)thio]anilino]phthalide Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O4S/c21-12-9-10-18(16(11-12)23(25)26)28-17-8-4-3-7-15(17)22-19-13-5-1-2-6-14(13)20(24)27-19/h1-11,19,22H/t19-/m1/s1