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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C19H19N3O5/c1-25-16-9-7-13(11-17(16)26-2)8-10-18(23)27-12-22-19(24)14-5-3-4-6-15(14)20-21-22/h3-7,9,11H,8,10,12H2,1-2H3