2-methyl-3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid

Systemtic Name: 2-methyl-3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid Openeye Name: 2-methyl-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid CAS Name: 2-methyl-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid IUPAC Name: 2-methyl-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid Traditional Name: 3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-2-methyl-propionic acid Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N4O6/c1-6(13(20)21)4-14-5-7-2-8(17(22)23)3-9-10(7)16-12(19)11(18)15-9/h2-3,6,14H,4-5H2,1H3,(H,15,18)(H,16,19)(H,20,21)