1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Formula: C20H17FN4O5 MolecularWeight: 412.371183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O5/c21-12-1-3-13(4-2-12)24-11-15(20(27)28)19(26)14-9-18(25(29)30)17(10-16(14)24)23-7-5-22-6-8-23/h1-4,9-11,22H,5-8H2,(H,27,28)