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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C22H21ClN8O5 MolecularWeight: 512.90574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=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(CCN1CC2=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/C22H21ClN8O5/c23-17-7-6-16(12-18(17)30(33)34)22(32)27-26-20-19(31(35)36)21(25-14-24-20)29-10-8-28(9-11-29)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,27,32)(H,24,25,26)