7-[4-(1-acetyloxypropan-2-yl)-1-methyl-piperazin-2-yl]-6-fluoranyl-8-nitro-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: 7-[4-(1-acetyloxypropan-2-yl)-1-methyl-piperazin-2-yl]-6-fluoranyl-8-nitro-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: 7-[4-(2-acetoxy-1-methyl-ethyl)-1-methyl-piperazin-2-yl]-6-fluoro-8-nitro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-[4-(1-acetyloxypropan-2-yl)-1-methyl-2-piperazinyl]-6-fluoro-8-nitro-4-oxo-1H-quinoline-3-carboxylate IUPAC Name: 7-[4-(1-acetyloxypropan-2-yl)-1-methylpiperazin-2-yl]-6-fluoro-8-nitro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-[4-(2-acetoxy-1-methyl-ethyl)-1-methyl-piperazin-2-yl]-6-fluoro-4-keto-8-nitro-1H-quinoline-3-carboxylate Formula: C20H22FN4O7- MolecularWeight: 449.409683

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)N1CCN(C(C1)C2=C(C=C3C(=C2[N+](=O)[O-])NC=C(C3=O)C(=O)[O-])F)C

Isomeric SMILES

CC(COC(=O)C)N1CCN(C(C1)C2=C(C=C3C(=C2[N+](=O)[O-])NC=C(C3=O)C(=O)[O-])F)C

InChI

InChI=1S/C20H23FN4O7/c1-10(9-32-11(2)26)24-5-4-23(3)15(8-24)16-14(21)6-12-17(18(16)25(30)31)22-7-13(19(12)27)20(28)29/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,22,27)(H,28,29)/p-1