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

Systemtic Name: N-[7-nitro-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethanenitrilium Openeye Name: N-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetonitrilium CAS Name: N-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetonitrilium IUPAC Name: N-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetonitrilium Traditional Name: N-[2,3-diketo-7-nitro-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetonitrilium Formula: C11H6F3N4O4+ MolecularWeight: 315.18495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H5F3N4O4/c1-2-15-17-8-4-7(18(21)22)5(11(12,13)14)3-6(8)16-9(19)10(17)20/h3-4H,1H3/p+1