(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H11BrFN3O3 MolecularWeight: 404.189943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFN3O3/c18-12-6-7-14(19)11(9-12)5-8-16(23)25-10-22-17(24)13-3-1-2-4-15(13)20-21-22/h1-9H,10H2/b8-5+