N-[4-fluoranyl-2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methanimine oxide hydrate

Systemtic Name: N-[4-fluoranyl-2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methanimine oxide hydrate Openeye Name: N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methanimine oxide hydrate CAS Name: N-[4-fluoro-2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methanimine oxide hydrate IUPAC Name: N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanimine oxide hydrate Traditional Name: N-[4-fluoro-2-(4-methylpiperazino)-5-nitro-phenyl]methanimine oxide hydrate Formula: C12H17FN4O4 MolecularWeight: 300.286183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN4O3.H2O/c1-14-3-5-16(6-4-14)12-7-9(13)10(17(19)20)8-11(12)15(2)18;/h7-8H,2-6H2,1H3;1H2