(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC)OC

InChI

InChI=1S/C21H22N4O6/c1-12(2)19(26)22-16-10-18(30-4)17(29-3)9-14(16)21(28)31-11-25-20(27)13-7-5-6-8-15(13)23-24-25/h5-10,12H,11H2,1-4H3,(H,22,26)