6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H16F2N4O5 MolecularWeight: 430.361646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

InChI

InChI=1S/C20H16F2N4O5/c21-14-7-11(26(30)31)1-2-16(14)25-10-13(20(28)29)19(27)12-8-15(22)18(9-17(12)25)24-5-3-23-4-6-24/h1-2,7-10,23H,3-6H2,(H,28,29)