2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propanoic acid

Systemtic Name: 2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propanoic acid Openeye Name: 2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propanoic acid CAS Name: 2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propanoic acid IUPAC Name: 2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propanoic acid Traditional Name: 2-[4-(1,2,4-benzotriazin-3-yloxy)phenoxy]propionic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O4/c1-10(15(20)21)22-11-6-8-12(9-7-11)23-16-17-13-4-2-3-5-14(13)18-19-16/h2-10H,1H3,(H,20,21)