3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC#N

InChI

InChI=1S/C15H13N3O2/c16-9-4-10-18-11-13(7-8-14(19)20)15(17-18)12-5-2-1-3-6-12/h1-3,5-8,11H,4,10H2,(H,19,20)