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

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

Systemtic Name:1-[7-azanyl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid
Openeye Name:1-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid
CAS Name:1-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid
IUPAC Name:1-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid
Traditional Name:1-[7-amino-2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid
Formula: C11H11F3N3O5P
MolecularWeight: 353.191111
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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C=C(C(=C2)N)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O


Isomeric SMILES

CC(N1C2=C(C=C(C(=C2)N)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O


InChI

InChI=1S/C11H11F3N3O5P/c1-4(23(20,21)22)17-8-3-6(15)5(11(12,13)14)2-7(8)16-9(18)10(17)19/h2-4H,15H2,1H3,(H,16,18)(H2,20,21,22)


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