4-(3-bromanylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-bromophenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-bromophenoxy)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-bromophenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-[4-(2-nitrophenyl)piperazino]butan-1-one Formula: C20H22BrN3O4 MolecularWeight: 448.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O4/c21-16-5-3-6-17(15-16)28-14-4-9-20(25)23-12-10-22(11-13-23)18-7-1-2-8-19(18)24(26)27/h1-3,5-8,15H,4,9-14H2