(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,4,5-trimethylfuran-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C)C

InChI

InChI=1S/C20H19N3O3/c1-12-14(3)26-15(4)19(12)20(24)25-11-18-17(10-21)13(2)22-23(18)16-8-6-5-7-9-16/h5-9H,11H2,1-4H3