(3S)-6,7-dimethoxy-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-[2-nitro-4-(trifluoromethyl)anilino]-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-[2-nitro-4-(trifluoromethyl)anilino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-[2-nitro-4-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-[2-nitro-4-(trifluoromethyl)anilino]phthalide Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13F3N2O6/c1-26-12-6-4-9-13(14(12)27-2)16(23)28-15(9)21-10-5-3-8(17(18,19)20)7-11(10)22(24)25/h3-7,15,21H,1-2H3/t15-/m0/s1