(E)-3-(2-bromophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-bromophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-bromophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(2-bromophenyl)-1-(1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(2-bromophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-bromophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Formula: C14H13BrN2O MolecularWeight: 305.16982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)C=CC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=NN(C=C1C(=O)/C=C/C2=CC=CC=C2Br)C

InChI

InChI=1S/C14H13BrN2O/c1-10-12(9-17(2)16-10)14(18)8-7-11-5-3-4-6-13(11)15/h3-9H,1-2H3/b8-7+