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

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C23H21ClN8O7 MolecularWeight: 556.91524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21ClN8O7/c24-16-3-2-15(10-17(16)31(34)35)23(33)28-27-21-20(32(36)37)22(26-12-25-21)30-7-5-29(6-8-30)11-14-1-4-18-19(9-14)39-13-38-18/h1-4,9-10,12H,5-8,11,13H2,(H,28,33)(H,25,26,27)