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

Systemtic Name: 6,8,9-tris(chloranyl)-7-oxidanyl-2-pyridin-2-yl-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 6,8,9-trichloro-7-hydroxy-2-(2-pyridyl)-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 6,8,9-trichloro-7-hydroxy-2-(2-pyridinyl)-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 6,8,9-trichloro-7-hydroxy-2-pyridin-2-yl-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 6,8,9-trichloro-7-hydroxy-2-(2-pyridyl)-4H-1,3,4-benzoxadiazepin-5-one Formula: C13H6Cl3N3O3 MolecularWeight: 358.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6Cl3N3O3/c14-7-6-11(9(16)8(15)10(7)20)22-13(19-18-12(6)21)5-3-1-2-4-17-5/h1-4,20H,(H,18,21)