(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H9F6N3O3 MolecularWeight: 417.262079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F6N3O3/c18-16(19,20)10-5-9(6-11(7-10)17(21,22)23)15(28)29-8-26-14(27)12-3-1-2-4-13(12)24-25-26/h1-7H,8H2