2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C18H17BrFN3O5S MolecularWeight: 486.312083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C18H17BrFN3O5S/c1-11(28-14-3-2-12(20)10-13(14)19)17(24)21-6-8-22(9-7-21)18(25)15-4-5-16(29-15)23(26)27/h2-5,10-11H,6-9H2,1H3