3-nitro-N-oxidanyl-4-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 3-nitro-N-oxidanyl-4-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-nitro-benzenecarbohydroxamic acid CAS Name: N-hydroxy-3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-hydroxy-3-nitrobenzamide Traditional Name: 4-(4-benzylpiperazino)-3-nitro-benzenecarbohydroxamic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NO)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-18(19-24)15-6-7-16(17(12-15)22(25)26)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2,(H,19,23)