methyl 4,5-dimethoxy-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C21H22N4O6/c1-29-17-11-14(21(28)31-3)16(12-18(17)30-2)22-19(26)9-6-10-25-20(27)13-7-4-5-8-15(13)23-24-25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,26)