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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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