ethyl 5-cyano-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-cyano-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-cyano-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 5-cyano-1-(3,5-dimethylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 5-cyano-1-(3,5-dimethylphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC(=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC(=C2)C)C)C#N

InChI

InChI=1S/C15H15N3O2/c1-4-20-15(19)13-9-17-18(14(13)8-16)12-6-10(2)5-11(3)7-12/h5-7,9H,4H2,1-3H3