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

Systemtic Name: 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-nitro-benzaldehyde Openeye Name: 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-2-nitro-benzaldehyde CAS Name: 5-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-nitrobenzaldehyde IUPAC Name: 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-nitrobenzaldehyde Traditional Name: 5-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-2-nitro-benzaldehyde Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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