(E)-3-(5-cyano-1-methyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-cyano-1-methyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-cyano-1-methyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(5-cyano-1-methyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(5-cyano-1-methylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-cyano-1-methyl-pyrazol-4-yl)acrylic acid Formula: C8H7N3O2 MolecularWeight: 177.16008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C=CC(=O)O)C#N

Isomeric SMILES

CN1C(=C(C=N1)/C=C/C(=O)O)C#N

InChI

InChI=1S/C8H7N3O2/c1-11-7(4-9)6(5-10-11)2-3-8(12)13/h2-3,5H,1H3,(H,12,13)/b3-2+