1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN3O5S/c21-12-1-3-13(4-2-12)23-11-15(20(26)27)19(25)14-9-18(24(28)29)17(10-16(14)23)22-5-7-30-8-6-22/h1-4,9-11H,5-8H2,(H,26,27)