ethyl 5-fluoranyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]cinnoline-3-carboxylate

Systemtic Name: ethyl 5-fluoranyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]cinnoline-3-carboxylate Openeye Name: ethyl 5-fluoro-4-oxo-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylate CAS Name: 5-fluoro-4-oxo-1-[4-(trifluoromethoxy)phenyl]-3-cinnolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-4-oxo-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylate Traditional Name: 5-fluoro-4-keto-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylic acid ethyl ester Formula: C18H12F4N2O4 MolecularWeight: 396.292493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C(C1=O)C(=CC=C2)F)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C2=C(C1=O)C(=CC=C2)F)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H12F4N2O4/c1-2-27-17(26)15-16(25)14-12(19)4-3-5-13(14)24(23-15)10-6-8-11(9-7-10)28-18(20,21)22/h3-9H,2H2,1H3