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

Systemtic Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN4O5/c22-18-4-2-1-3-14(18)12-23-7-9-24(10-8-23)19(27)13-25-20(28)16-6-5-15(26(30)31)11-17(16)21(25)29/h1-6,11H,7-10,12-13H2