3-acetyloxy-2-nitro-3-quinoxalin-2-yl-propanoic acid

Systemtic Name: 3-acetyloxy-2-nitro-3-quinoxalin-2-yl-propanoic acid Openeye Name: 3-acetoxy-2-nitro-3-quinoxalin-2-yl-propanoic acid CAS Name: 3-acetyloxy-2-nitro-3-(2-quinoxalinyl)propanoic acid IUPAC Name: 3-acetyloxy-2-nitro-3-quinoxalin-2-ylpropanoic acid Traditional Name: 3-acetoxy-2-nitro-3-quinoxalin-2-yl-propionic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6/c1-7(17)22-12(11(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)