4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-N-oxidanyl-benzamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-N-oxidanyl-benzamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-benzenecarbohydroxamic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-hydroxy-3-nitrobenzamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-hydroxy-3-nitrobenzamide Traditional Name: 3-nitro-4-(4-piperonylpiperazino)benzenecarbohydroxamic acid Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)NO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)NO)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c24-19(20-25)14-2-3-15(16(10-14)23(26)27)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-10,25H,5-8,11-12H2,(H,20,24)