ethyl 1-[(2S)-1-acetyloxypropan-2-yl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[(2S)-1-acetyloxypropan-2-yl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[(1S)-2-acetoxy-1-methyl-ethyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(2S)-1-acetyloxypropan-2-yl]-6-fluoro-7-(4-methyl-1-piperazinyl)-8-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-1-acetyloxypropan-2-yl]-6-fluoro-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-[(1S)-2-acetoxy-1-methyl-ethyl]-6-fluoro-4-keto-7-(4-methylpiperazino)-8-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C22H27FN4O7 MolecularWeight: 478.470783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)[N+](=O)[O-])C(C)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)[N+](=O)[O-])[C@@H](C)COC(=O)C

InChI

InChI=1S/C22H27FN4O7/c1-5-33-22(30)16-11-26(13(2)12-34-14(3)28)18-15(21(16)29)10-17(23)19(20(18)27(31)32)25-8-6-24(4)7-9-25/h10-11,13H,5-9,12H2,1-4H3/t13-/m0/s1