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

Systemtic Name: 1-[7-nitro-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid CAS Name: 1-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid IUPAC Name: 1-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Traditional Name: 1-[2,3-diketo-7-nitro-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Formula: C11H9F3N3O7P MolecularWeight: 383.174031

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

Isomeric SMILES

CC(N1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

InChI

InChI=1S/C11H9F3N3O7P/c1-4(25(22,23)24)16-8-3-7(17(20)21)5(11(12,13)14)2-6(8)15-9(18)10(16)19/h2-4H,1H3,(H,15,18)(H2,22,23,24)