2-acetamido-2-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]propanedioic acid Openeye Name: 2-acetamido-2-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]propanedioic acid CAS Name: 2-acetamido-2-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]propanedioic acid Traditional Name: 2-acetamido-2-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]malonic acid Formula: C16H16N4O9 MolecularWeight: 408.31964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])(C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N4O9/c1-7(21)19-16(14(22)23,15(24)25)6-8-4-9(20(26)27)5-10-11(8)18-13(29-3)12(17-10)28-2/h4-5H,6H2,1-3H3,(H,19,21)(H,22,23)(H,24,25)