2-[4-[(7-bromanyl-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoic acid

Systemtic Name: 2-[4-[(7-bromanyl-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoic acid Openeye Name: 2-[4-[(7-bromo-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoic acid CAS Name: 2-[4-[(7-bromo-1,2,4-benzotriazin-3-yl)-methylamino]phenoxy]propanoic acid IUPAC Name: 2-[4-[(7-bromo-1,2,4-benzotriazin-3-yl)-methylamino]phenoxy]propanoic acid Traditional Name: 2-[4-[(7-bromo-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propionic acid Formula: C17H15BrN4O3 MolecularWeight: 403.23

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)N(C)C2=NC3=C(C=C(C=C3)Br)N=N2

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)N(C)C2=NC3=C(C=C(C=C3)Br)N=N2

InChI

InChI=1S/C17H15BrN4O3/c1-10(16(23)24)25-13-6-4-12(5-7-13)22(2)17-19-14-8-3-11(18)9-15(14)20-21-17/h3-10H,1-2H3,(H,23,24)