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

Systemtic Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoic acid Openeye Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid CAS Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid IUPAC Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid Traditional Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-(4-keto-1,2,3-benzotriazin-3-yl)butyric acid Formula: C25H20N4O4 MolecularWeight: 440.4507

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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=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)33-16-20(25(31)32)13-14-29-24(30)22-3-1-2-4-23(22)27-28-29/h1-12,20H,13-14,16H2,(H,31,32)