5-nitro-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c25-18(22-10-8-21(9-11-22)14-4-2-1-3-5-14)13-23-19(26)16-7-6-15(24(28)29)12-17(16)20(23)27/h1-7,12H,8-11,13H2