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

Systemtic Name: 2-acetamido-3-[6-methyl-7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]propanoic acid Openeye Name: 2-acetamido-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid CAS Name: 2-acetamido-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid IUPAC Name: 2-acetamido-3-(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid Traditional Name: 2-acetamido-3-(2,3-diketo-6-methyl-7-nitro-1,4-dihydroquinoxalin-5-yl)propionic acid Formula: C14H14N4O7 MolecularWeight: 350.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O7/c1-5-7(3-9(14(22)23)15-6(2)19)11-8(4-10(5)18(24)25)16-12(20)13(21)17-11/h4,9H,3H2,1-2H3,(H,15,19)(H,16,20)(H,17,21)(H,22,23)