(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H17N3O4/c22-17(11-6-12-24-14-7-2-1-3-8-14)25-13-21-18(23)15-9-4-5-10-16(15)19-20-21/h1-5,7-10H,6,11-13H2