(E)-3-[1,3-dimethyl-5-(1-phenylethoxy)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1,3-dimethyl-5-(1-phenylethoxy)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1,3-dimethyl-5-(1-phenylethoxy)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1,3-dimethyl-5-(1-phenylethoxy)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1,3-dimethyl-5-(1-phenylethoxy)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1,3-dimethyl-5-(1-phenylethoxy)pyrazol-4-yl]acrylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)OC(C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11-14(9-10-15(19)20)16(18(3)17-11)21-12(2)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,19,20)/b10-9+