4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1,3,4-benzoxadiazepin-5-one Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-1,3,4-benzoxadiazepin-5-one CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5-one IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1,3,4-benzoxadiazepin-5-one Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-1,3,4-benzoxadiazepin-5-one Formula: C15H9ClF3N3O2 MolecularWeight: 355.69907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C15H9ClF3N3O2/c1-8-21-22(14(23)10-4-2-3-5-12(10)24-8)13-11(16)6-9(7-20-13)15(17,18)19/h2-7H,1H3