(E)-3-[5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[5-(2-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-(2-bromophenoxy)-1,3-dimethyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[5-(2-bromophenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-(2-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]acrylate Formula: C14H12BrN2O3- MolecularWeight: 336.16068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)[O-])OC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)[O-])OC2=CC=CC=C2Br)C

InChI

InChI=1S/C14H13BrN2O3/c1-9-10(7-8-13(18)19)14(17(2)16-9)20-12-6-4-3-5-11(12)15/h3-8H,1-2H3,(H,18,19)/p-1/b8-7+