8-(4-methylpiperazin-1-yl)-5-nitro-quinoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 8-(4-methylpiperazin-1-yl)-5-nitro-quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 8-(4-methylpiperazin-1-yl)-5-nitro-quinoline; 2,2,2-trifluoroacetic acid CAS Name: 8-(4-methyl-1-piperazinyl)-5-nitroquinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 8-(4-methylpiperazin-1-yl)-5-nitroquinoline; 2,2,2-trifluoroacetic acid Traditional Name: 8-(4-methylpiperazino)-5-nitro-quinoline; 2,2,2-trifluoroacetic acid Formula: C18H18F6N4O6 MolecularWeight: 500.349139

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H16N4O2.2C2HF3O2/c1-16-7-9-17(10-8-16)13-5-4-12(18(19)20)11-3-2-6-15-14(11)13;2*3-2(4,5)1(6)7/h2-6H,7-10H2,1H3;2*(H,6,7)