1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-nitro-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C18H18FN3O6S MolecularWeight: 423.415423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCSCC4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCSCC4

InChI

InChI=1S/C18H18FN3O6S/c1-28-17-14-11(16(23)10(18(24)25)8-21(14)9-2-3-9)13(22(26)27)12(19)15(17)20-4-6-29-7-5-20/h8-9H,2-7H2,1H3,(H,24,25)