ethyl 1-cyclopropyl-6,7,8-tris(fluoranyl)-2-(3-methoxy-2-nitro-phenyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6,7,8-tris(fluoranyl)-2-(3-methoxy-2-nitro-phenyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6,7,8-trifluoro-2-(3-methoxy-2-nitro-phenyl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,7,8-trifluoro-2-(3-methoxy-2-nitrophenyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6,7,8-trifluoro-2-(3-methoxy-2-nitrophenyl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,7,8-trifluoro-4-keto-2-(3-methoxy-2-nitro-phenyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H17F3N2O6 MolecularWeight: 462.37539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)C4=C(C(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)C4=C(C(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17F3N2O6/c1-3-33-22(29)15-19(11-5-4-6-14(32-2)18(11)27(30)31)26(10-7-8-10)20-12(21(15)28)9-13(23)16(24)17(20)25/h4-6,9-10H,3,7-8H2,1-2H3