dimethyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H20N4O6/c1-4-17(25-19(27)13-7-5-6-8-15(13)23-24-25)18(26)22-16-11-12(20(28)30-2)9-10-14(16)21(29)31-3/h5-11,17H,4H2,1-3H3,(H,22,26)