(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C13H12N2O2/c16-13(17)7-6-12-8-14-15(10-12)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,17)/b7-6+