(E)-3-(1-methyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1-methyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-methyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(1-methyl-3-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(1-methyl-3-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-methyl-3-phenyl-pyrazol-4-yl)acrylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C=CC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H12N2O2/c1-15-9-11(7-8-12(16)17)13(14-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)/b8-7+