(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-1-(3-nitrophenyl)prop-2-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H12BrNO5/c1-23-16-9-13(17)10(8-15(16)20)5-6-14(19)11-3-2-4-12(7-11)18(21)22/h2-9,20H,1H3/b6-5+