4-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazino]methyl]-3-nitro-benzamide Formula: C20H23ClN4O4 MolecularWeight: 418.87402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O4/c21-17-3-5-18(6-4-17)29-12-11-23-7-9-24(10-8-23)14-16-2-1-15(20(22)26)13-19(16)25(27)28/h1-6,13H,7-12,14H2,(H2,22,26)