2-nitro-4-oxidanylidene-3-quinoxalin-2-yl-pentanoic acid

Systemtic Name: 2-nitro-4-oxidanylidene-3-quinoxalin-2-yl-pentanoic acid Openeye Name: 2-nitro-4-oxo-3-quinoxalin-2-yl-pentanoic acid CAS Name: 2-nitro-4-oxo-3-(2-quinoxalinyl)pentanoic acid IUPAC Name: 2-nitro-4-oxo-3-quinoxalin-2-ylpentanoic acid Traditional Name: 4-keto-2-nitro-3-quinoxalin-2-yl-valeric acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NC2=CC=CC=C2N=C1)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NC2=CC=CC=C2N=C1)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c1-7(17)11(12(13(18)19)16(20)21)10-6-14-8-4-2-3-5-9(8)15-10/h2-6,11-12H,1H3,(H,18,19)