2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: 2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: 2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: 2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: 2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: 2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)O

InChI

InChI=1S/C15H13N3O2/c1-10-14(8-12(9-16)15(19)20)11(2)18(17-10)13-6-4-3-5-7-13/h3-8H,1-2H3,(H,19,20)