ethyl 7-chloranyl-8-fluoranyl-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-fluoranyl-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-8-fluoro-1-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-chloro-8-fluoro-1-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-fluoro-1-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-chloro-8-fluoro-4-keto-1-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C13H10ClFN2O5 MolecularWeight: 328.680303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])Cl)F)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])Cl)F)C

InChI

InChI=1S/C13H10ClFN2O5/c1-3-22-13(19)7-5-16(2)11-6(12(7)18)4-8(17(20)21)9(14)10(11)15/h4-5H,3H2,1-2H3