2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C20H20ClN3O5 MolecularWeight: 417.8429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=CC=C3[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=CC=C3[N+](=O)[O-])C=O

InChI

InChI=1S/C20H20ClN3O5/c21-17-6-4-15(5-7-17)12-22-8-10-23(11-9-22)19(26)14-29-20-16(13-25)2-1-3-18(20)24(27)28/h1-7,13H,8-12,14H2