N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide Traditional Name: 3-nitro-N'-[2-(4-piperonylpiperazino)acetyl]benzohydrazide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6/c27-20(22-23-21(28)16-2-1-3-17(11-16)26(29)30)13-25-8-6-24(7-9-25)12-15-4-5-18-19(10-15)32-14-31-18/h1-5,10-11H,6-9,12-14H2,(H,22,27)(H,23,28)