3-bromanyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-nitro-benzaldehyde

Systemtic Name: 3-bromanyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-nitro-benzaldehyde Openeye Name: 3-bromo-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-5-nitro-benzaldehyde CAS Name: 3-bromo-2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-5-nitrobenzaldehyde IUPAC Name: 3-bromo-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-5-nitrobenzaldehyde Traditional Name: 3-bromo-2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-5-nitro-benzaldehyde Formula: C20H19BrClN3O5 MolecularWeight: 496.73896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C=O)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C=O)[N+](=O)[O-])Br

InChI

InChI=1S/C20H19BrClN3O5/c21-18-10-17(25(28)29)9-15(12-26)20(18)30-13-19(27)24-7-5-23(6-8-24)11-14-1-3-16(22)4-2-14/h1-4,9-10,12H,5-8,11,13H2