(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-oxidanyl-phenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-hydroxy-phenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-hydroxyphenyl)-1-(2-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-hydroxyphenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-hydroxy-phenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Formula: C13H11BrN2O2 MolecularWeight: 307.14264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)C=CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CN1C(=CC=N1)C(=O)/C=C/C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H11BrN2O2/c1-16-11(6-7-15-16)13(18)4-2-9-8-10(14)3-5-12(9)17/h2-8,17H,1H3/b4-2+