(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylate Formula: C11H14ClN2O2- MolecularWeight: 241.69406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN2O2/c1-7(2)6-14-11(12)9(8(3)13-14)4-5-10(15)16/h4-5,7H,6H2,1-3H3,(H,15,16)/p-1/b5-4+