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

Systemtic Name: dimethyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-11(24-18(26)13-6-4-5-7-15(13)22-23-24)17(25)21-16-10-12(19(27)29-2)8-9-14(16)20(28)30-3/h4-11H,1-3H3,(H,21,25)