6,8,9-tris(chloranyl)-2-(furan-2-yl)-7-oxidanyl-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 6,8,9-tris(chloranyl)-2-(furan-2-yl)-7-oxidanyl-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 6,8,9-trichloro-2-(2-furyl)-7-hydroxy-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 6,8,9-trichloro-2-(2-furanyl)-7-hydroxy-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 6,8,9-trichloro-2-(furan-2-yl)-7-hydroxy-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 6,8,9-trichloro-2-(2-furyl)-7-hydroxy-4H-1,3,4-benzoxadiazepin-5-one Formula: C12H5Cl3N2O4 MolecularWeight: 347.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NNC(=O)C3=C(O2)C(=C(C(=C3Cl)O)Cl)Cl

Isomeric SMILES

C1=COC(=C1)C2=NNC(=O)C3=C(O2)C(=C(C(=C3Cl)O)Cl)Cl

InChI

InChI=1S/C12H5Cl3N2O4/c13-6-5-10(8(15)7(14)9(6)18)21-12(17-16-11(5)19)4-2-1-3-20-4/h1-3,18H,(H,16,19)