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

Systemtic Name: ethyl 2-[7-nitro-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethanoate Openeye Name: ethyl 2-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetate CAS Name: 2-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetate Traditional Name: 2-[2,3-diketo-7-nitro-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid ethyl ester Formula: C13H10F3N3O6 MolecularWeight: 361.23021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O

InChI

InChI=1S/C13H10F3N3O6/c1-2-25-10(20)5-18-9-4-8(19(23)24)6(13(14,15)16)3-7(9)17-11(21)12(18)22/h3-4H,2,5H2,1H3,(H,17,21)