(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazino]prop-2-en-1-one Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4/c1-28-19-8-3-16(21)14-15(19)2-9-20(25)23-12-10-22(11-13-23)17-4-6-18(7-5-17)24(26)27/h2-9,14H,10-13H2,1H3/b9-2+