ethyl 6,7-bis(fluoranyl)-4-oxidanylidene-1-pentan-3-yl-cinnoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-4-oxidanylidene-1-pentan-3-yl-cinnoline-3-carboxylate Openeye Name: ethyl 1-(1-ethylpropyl)-6,7-difluoro-4-oxo-cinnoline-3-carboxylate CAS Name: 6,7-difluoro-4-oxo-1-pentan-3-yl-3-cinnolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-4-oxo-1-pentan-3-ylcinnoline-3-carboxylate Traditional Name: 1-(1-ethylpropyl)-6,7-difluoro-4-keto-cinnoline-3-carboxylic acid ethyl ester Formula: C16H18F2N2O3 MolecularWeight: 324.322526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)OCC)F)F

Isomeric SMILES

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)OCC)F)F

InChI

InChI=1S/C16H18F2N2O3/c1-4-9(5-2)20-13-8-12(18)11(17)7-10(13)15(21)14(19-20)16(22)23-6-3/h7-9H,4-6H2,1-3H3