1-[2,4-bis(fluoranyl)phenyl]-8-methyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-methyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-4-keto-8-methyl-6-nitro-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C21H17F2N3O5S MolecularWeight: 461.438586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCSCC3)[N+](=O)[O-])C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCSCC3)[N+](=O)[O-])C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C21H17F2N3O5S/c1-11-18-13(9-17(26(30)31)19(11)24-4-6-32-7-5-24)20(27)14(21(28)29)10-25(18)16-3-2-12(22)8-15(16)23/h2-3,8-10H,4-7H2,1H3,(H,28,29)