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

Systemtic Name: 5-bromanyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 5-bromo-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 5-bromo-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 5-bromo-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 5-bromo-2-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C22H23BrFN3O5 MolecularWeight: 508.337523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2C=O)Br)[N+](=O)[O-])C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2C=O)Br)[N+](=O)[O-])C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23BrFN3O5/c1-14-10-26(15(2)9-25(14)11-16-3-5-19(24)6-4-16)21(29)13-32-22-17(12-28)7-18(23)8-20(22)27(30)31/h3-8,12,14-15H,9-11,13H2,1-2H3