(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H21N3O6/c1-26-16-10-13(11-17(27-2)19(16)28-3)8-9-18(24)29-12-23-20(25)14-6-4-5-7-15(14)21-22-23/h4-7,10-11H,8-9,12H2,1-3H3