(NE)-N-[[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methylidene]hydroxylamine

Systemtic Name: (NE)-N-[[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methylidene]hydroxylamine Openeye Name: (1E)-4-(4-benzylpiperazin-1-yl)-3-nitro-benzaldehyde oxime CAS Name: (1E)-3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]benzaldehyde oxime IUPAC Name: (NE)-N-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene]hydroxylamine Traditional Name: (1E)-4-(4-benzylpiperazino)-3-nitro-benzaldoxime Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)/C=N/O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c23-19-13-16-6-7-17(18(12-16)22(24)25)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2/b19-13+