4-nitro-2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C23H23N4O5+ MolecularWeight: 435.45252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5/c28-20(16-26-22(29)18-9-4-10-19(27(31)32)21(18)23(26)30)25-14-12-24(13-15-25)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/p+1/b8-5+