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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C21H19ClN8O5 MolecularWeight: 498.87916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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