ethyl 1-(2-cyanoethanoylamino)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(2-cyanoethanoylamino)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[(2-cyanoacetyl)amino]-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(2-cyano-1-oxoethyl)amino]-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-cyanoacetyl)amino]-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-[(2-cyanoacetyl)amino]-6,7,8-trifluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C15H10F3N3O4 MolecularWeight: 353.25281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)NC(=O)CC#N

InChI

InChI=1S/C15H10F3N3O4/c1-2-25-15(24)8-6-21(20-10(22)3-4-19)13-7(14(8)23)5-9(16)11(17)12(13)18/h5-6H,2-3H2,1H3,(H,20,22)