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

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazino)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c26-19(23-10-8-22(9-11-23)13-15-4-2-1-3-5-15)14-24-20(27)17-7-6-16(25(29)30)12-18(17)21(24)28/h1-7,12H,8-11,13-14H2