2-[(4-methyl-3-oxidanylidene-quinoxalin-2-yl)methyl]propanedioic acid

Systemtic Name: 2-[(4-methyl-3-oxidanylidene-quinoxalin-2-yl)methyl]propanedioic acid Openeye Name: 2-[(4-methyl-3-oxo-quinoxalin-2-yl)methyl]propanedioic acid CAS Name: 2-[(4-methyl-3-oxo-2-quinoxalinyl)methyl]propanedioic acid IUPAC Name: 2-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]propanedioic acid Traditional Name: 2-[(3-keto-4-methyl-quinoxalin-2-yl)methyl]malonic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C(C1=O)CC(C(=O)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C(C1=O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-15-10-5-3-2-4-8(10)14-9(11(15)16)6-7(12(17)18)13(19)20/h2-5,7H,6H2,1H3,(H,17,18)(H,19,20)