1-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name: 1-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethylphosphonic acid CAS Name: 1-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethylphosphonic acid IUPAC Name: 1-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethylphosphonic acid Traditional Name: 1-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)ethylphosphonic acid Formula: C13H12N5O7P MolecularWeight: 381.237441

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)P(=O)(O)O

Isomeric SMILES

CC(N1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)P(=O)(O)O

InChI

InChI=1S/C13H12N5O7P/c1-7(26(23,24)25)17-9-5-10(16-3-2-14-6-16)11(18(21)22)4-8(9)15-12(19)13(17)20/h2-7H,1H3,(H,15,19)(H2,23,24,25)