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

Systemtic Name: 2-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5/c22-15-1-4-17(5-2-15)31-12-11-23-7-9-24(10-8-23)14-25-20(27)18-6-3-16(26(29)30)13-19(18)21(25)28/h1-6,13H,7-12,14H2