(E)-1-(4-bromophenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C16H12BrNO5 MolecularWeight: 378.17418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H12BrNO5/c1-23-15-9-10(8-13(16(15)20)18(21)22)2-7-14(19)11-3-5-12(17)6-4-11/h2-9,20H,1H3/b7-2+