(2-bromanyl-5-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C19H17BrF3N3O4 MolecularWeight: 488.25519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrF3N3O4/c1-30-13-3-4-15(20)14(11-13)18(27)25-8-6-24(7-9-25)16-5-2-12(19(21,22)23)10-17(16)26(28)29/h2-5,10-11H,6-9H2,1H3