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

Systemtic Name: 4-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-2-phosphono-butanoic acid Openeye Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-2-phosphono-butanoic acid CAS Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-2-phosphonobutanoic acid IUPAC Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-2-phosphonobutanoic acid Traditional Name: 4-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-2-phosphono-butyric acid Formula: C13H15N4O9P MolecularWeight: 402.253361

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCC(C(=O)O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCC(C(=O)O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N4O9P/c18-11-12(19)16-10-6(3-7(17(22)23)4-8(10)15-11)5-14-2-1-9(13(20)21)27(24,25)26/h3-4,9,14H,1-2,5H2,(H,15,18)(H,16,19)(H,20,21)(H2,24,25,26)