ethyl 1-ethyl-6,7-bis(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6,7-bis(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 5-(benzylamino)-1-ethyl-6,7-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6,7-difluoro-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-(benzylamino)-1-ethyl-6,7-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H20F2N2O3 MolecularWeight: 386.391906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C=C21)F)F)NCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C=C21)F)F)NCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H20F2N2O3/c1-3-25-12-14(21(27)28-4-2)20(26)17-16(25)10-15(22)18(23)19(17)24-11-13-8-6-5-7-9-13/h5-10,12,24H,3-4,11H2,1-2H3