dimethyl 5-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC

InChI

InChI=1S/C20H18N4O6/c1-29-19(27)12-9-13(20(28)30-2)11-14(10-12)21-17(25)7-8-24-18(26)15-5-3-4-6-16(15)22-23-24/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)