2-(quinoxalin-2-ylcarbonylamino)butanedioic acid

Systemtic Name: 2-(quinoxalin-2-ylcarbonylamino)butanedioic acid Openeye Name: 2-(quinoxaline-2-carbonylamino)butanedioic acid CAS Name: 2-[[oxo(2-quinoxalinyl)methyl]amino]butanedioic acid IUPAC Name: 2-(quinoxaline-2-carbonylamino)butanedioic acid Traditional Name: 2-(quinoxaline-2-carbonylamino)succinic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H11N3O5/c17-11(18)5-9(13(20)21)16-12(19)10-6-14-7-3-1-2-4-8(7)15-10/h1-4,6,9H,5H2,(H,16,19)(H,17,18)(H,20,21)