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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-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-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H14BrN3O4/c1-25-16-8-7-13(19)10-12(16)6-9-17(23)26-11-22-18(24)14-4-2-3-5-15(14)20-21-22/h2-10H,11H2,1H3/b9-6+