N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide

Systemtic Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Openeye Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: N'-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-nitrobenzohydrazide IUPAC Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C21H19FN8O5 MolecularWeight: 482.424563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19FN8O5/c22-15-3-7-16(8-4-15)27-9-11-28(12-10-27)20-18(30(34)35)19(23-13-24-20)25-26-21(31)14-1-5-17(6-2-14)29(32)33/h1-8,13H,9-12H2,(H,26,31)(H,23,24,25)