6,7,8-tris(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]-1H-quinoline-3-carboxylate

Systemtic Name: 6,7,8-tris(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]-1H-quinoline-3-carboxylate Openeye Name: 5-(benzylamino)-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-4-oxo-5-[(phenylmethyl)amino]-1H-quinoline-3-carboxylate IUPAC Name: 5-(benzylamino)-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 5-(benzylamino)-6,7,8-trifluoro-4-keto-1H-quinoline-3-carboxylate Formula: C17H10F3N2O3- MolecularWeight: 347.26811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C3=C2C(=O)C(=CN3)C(=O)[O-])F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C3=C2C(=O)C(=CN3)C(=O)[O-])F)F)F

InChI

InChI=1S/C17H11F3N2O3/c18-11-12(19)14(21-6-8-4-2-1-3-5-8)10-15(13(11)20)22-7-9(16(10)23)17(24)25/h1-5,7,21H,6H2,(H,22,23)(H,24,25)/p-1