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

Systemtic Name: 4-nitro-2-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C24H25N4O5+ MolecularWeight: 449.4791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCN3C(=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)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5/c29-21(26-16-14-25(15-17-26)12-5-8-18-6-2-1-3-7-18)11-13-27-23(30)19-9-4-10-20(28(32)33)22(19)24(27)31/h1-10H,11-17H2/p+1/b8-5+