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

Systemtic Name: 4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid Openeye Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid CAS Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid IUPAC Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid Traditional Name: 4-(4-keto-1,2,3-benzotriazin-3-yl)-2-[(4-phenylphenoxy)methyl]butyric acid Formula: C24H21N3O4 MolecularWeight: 415.44124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCN3C(=O)C4=CC=CC=C4N=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCN3C(=O)C4=CC=CC=C4N=N3)C(=O)O

InChI

InChI=1S/C24H21N3O4/c28-23-21-8-4-5-9-22(21)25-26-27(23)15-14-19(24(29)30)16-31-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19H,14-16H2,(H,29,30)