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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-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(=CC(=C1)C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)O

Isomeric SMILES

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

InChI

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