4-chloranyl-3-nitro-N'-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]benzohydrazide Formula: C20H18ClN9O5 MolecularWeight: 499.86722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)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=N2)C3=C(C(=NC=N3)NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN9O5/c21-14-5-4-13(11-15(14)29(32)33)20(31)26-25-18-17(30(34)35)19(24-12-23-18)28-9-7-27(8-10-28)16-3-1-2-6-22-16/h1-6,11-12H,7-10H2,(H,26,31)(H,23,24,25)