N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C21H19ClN8O5 MolecularWeight: 498.87916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN8O5/c22-15-4-2-5-16(12-15)27-7-9-28(10-8-27)20-18(30(34)35)19(23-13-24-20)25-26-21(31)14-3-1-6-17(11-14)29(32)33/h1-6,11-13H,7-10H2,(H,26,31)(H,23,24,25)