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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(2-bromophenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(2-bromophenyl)prop-2-enoate CAS Name: (E)-3-(2-bromophenyl)-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-(2-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromophenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H12BrN3O3 MolecularWeight: 386.19948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3/c18-14-7-3-1-5-12(14)9-10-16(22)24-11-21-17(23)13-6-2-4-8-15(13)19-20-21/h1-10H,11H2/b10-9+