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

Systemtic Name: dimethyl 2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCC2=NC3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCC2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H19N3O6/c1-29-20(27)12-7-8-13(21(28)30-2)17(11-12)23-18(25)10-9-16-19(26)24-15-6-4-3-5-14(15)22-16/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26)