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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,5-dimethyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC(=C(C(=C2)Br)O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC(=C(C(=C2)Br)O)OC)C

InChI

InChI=1S/C15H15BrN2O3/c1-9-6-12(18(2)17-9)13(19)5-4-10-7-11(16)15(20)14(8-10)21-3/h4-8,20H,1-3H3/b5-4+