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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C)C1=C2C(=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)N2

Isomeric SMILES

CCC(C(=O)O)N(C)C1=C2C(=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)N2

InChI

InChI=1S/C13H14N4O6/c1-3-8(13(20)21)16(2)9-5-6(17(22)23)4-7-10(9)15-12(19)11(18)14-7/h4-5,8H,3H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)