ethyl 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[3-(azidomethyl)phenyl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H18F2N4O3 MolecularWeight: 412.389426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)CN=[N+]=[N-])F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)CN=[N+]=[N-])F)C(=O)OCC

InChI

InChI=1S/C21H18F2N4O3/c1-3-27-11-15(21(29)30-4-2)20(28)14-9-16(22)17(18(23)19(14)27)13-7-5-6-12(8-13)10-25-26-24/h5-9,11H,3-4,10H2,1-2H3