(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2E,4E)-hexa-2,4-dienoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-3-4-6-11-18(22)23-13-17-16(12-19)14(2)20-21(17)15-9-7-5-8-10-15/h3-11H,13H2,1-2H3/b4-3+,11-6+