4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-[(4-pyridin-3-ylphenoxy)methyl]butanoic acid

Systemtic Name: 4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-[(4-pyridin-3-ylphenoxy)methyl]butanoic acid Openeye Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[[4-(3-pyridyl)phenoxy]methyl]butanoic acid CAS Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[[4-(3-pyridinyl)phenoxy]methyl]butanoic acid IUPAC Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[(4-pyridin-3-ylphenoxy)methyl]butanoic acid Traditional Name: 4-(4-keto-1,2,3-benzotriazin-3-yl)-2-[[4-(3-pyridyl)phenoxy]methyl]butyric acid Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(COC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(COC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C23H20N4O4/c28-22-20-5-1-2-6-21(20)25-26-27(22)13-11-18(23(29)30)15-31-19-9-7-16(8-10-19)17-4-3-12-24-14-17/h1-10,12,14,18H,11,13,15H2,(H,29,30)