2-azanyl-3-[6-methyl-7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-methyl-7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]propanoic acid Openeye Name: 2-amino-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid CAS Name: 2-amino-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid IUPAC Name: 2-amino-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid Traditional Name: 2-amino-3-(2,3-diketo-6-methyl-7-nitro-1,4-dihydroquinoxalin-5-yl)propionic acid Formula: C12H12N4O6 MolecularWeight: 308.24688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1CC(C(=O)O)N)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1CC(C(=O)O)N)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O6/c1-4-5(2-6(13)12(19)20)9-7(3-8(4)16(21)22)14-10(17)11(18)15-9/h3,6H,2,13H2,1H3,(H,14,17)(H,15,18)(H,19,20)