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

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acrylic acid Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C14H11N3O2/c15-7-13(14(18)19)6-12-8-16-17(10-12)9-11-4-2-1-3-5-11/h1-6,8,10H,9H2,(H,18,19)/b13-6+