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

Systemtic Name: 1-[2,3-bis(oxidanylidene)-7-piperidin-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-[2,3-dioxo-7-(1-piperidyl)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid CAS Name: 1-[2,3-dioxo-7-(1-piperidinyl)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid IUPAC Name: 1-[2,3-dioxo-7-piperidin-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Traditional Name: 1-[2,3-diketo-7-piperidino-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethylphosphonic acid Formula: C16H19F3N3O5P MolecularWeight: 421.308131

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C=C(C(=C2)N3CCCCC3)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

Isomeric SMILES

CC(N1C2=C(C=C(C(=C2)N3CCCCC3)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

InChI

InChI=1S/C16H19F3N3O5P/c1-9(28(25,26)27)22-13-8-12(21-5-3-2-4-6-21)10(16(17,18)19)7-11(13)20-14(23)15(22)24/h7-9H,2-6H2,1H3,(H,20,23)(H2,25,26,27)