(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-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-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H12FN3O3 MolecularWeight: 325.293883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O3/c18-13-5-3-4-12(10-13)8-9-16(22)24-11-21-17(23)14-6-1-2-7-15(14)19-20-21/h1-10H,11H2/b9-8+