(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-but-2-enoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-but-2-enoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1=C(C(=NN1C2=CC=CC=C2)C)C#N

Isomeric SMILES

C/C=C/C(=O)OCC1=C(C(=NN1C2=CC=CC=C2)C)C#N

InChI

InChI=1S/C16H15N3O2/c1-3-7-16(20)21-11-15-14(10-17)12(2)18-19(15)13-8-5-4-6-9-13/h3-9H,11H2,1-2H3/b7-3+