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

Systemtic Name: ethyl 3-[7-nitro-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoate Openeye Name: ethyl 3-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoate CAS Name: 3-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-nitro-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoate Traditional Name: 3-[2,3-diketo-7-nitro-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propionic acid ethyl ester Formula: C14H12F3N3O6 MolecularWeight: 375.25679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C(=C2)[N+](=O)[O-])C(F)(F)F)NC(=O)C1=O

InChI

InChI=1S/C14H12F3N3O6/c1-2-26-11(21)3-4-19-10-6-9(20(24)25)7(14(15,16)17)5-8(10)18-12(22)13(19)23/h5-6H,2-4H2,1H3,(H,18,22)