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

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C23H22N8O7 MolecularWeight: 522.47018

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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(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N8O7/c32-23(16-2-1-3-17(11-16)30(33)34)27-26-21-20(31(35)36)22(25-13-24-21)29-8-6-28(7-9-29)12-15-4-5-18-19(10-15)38-14-37-18/h1-5,10-11,13H,6-9,12,14H2,(H,27,32)(H,24,25,26)