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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O5/c21-13-1-3-14(4-2-13)22-7-9-23(10-8-22)18(26)12-24-19(27)16-6-5-15(25(29)30)11-17(16)20(24)28/h1-6,11H,7-10,12H2