(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-oxidanyl-phenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-hydroxy-phenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-hydroxyphenyl)-1-(1,5-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-hydroxyphenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-hydroxy-phenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one Formula: C14H13BrN2O2 MolecularWeight: 321.16922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)C=CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC1=C(C=NN1C)C(=O)/C=C/C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H13BrN2O2/c1-9-12(8-16-17(9)2)14(19)5-3-10-7-11(15)4-6-13(10)18/h3-8,18H,1-2H3/b5-3+