ethyl 1-(3-cyano-4-oxidanyl-phenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-cyano-4-oxidanyl-phenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-cyano-4-hydroxy-phenyl)pyrazole-4-carboxylate CAS Name: 1-(3-cyano-4-hydroxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyano-4-hydroxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(3-cyano-4-hydroxy-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c1-2-19-13(18)10-7-15-16(8-10)11-3-4-12(17)9(5-11)6-14/h3-5,7-8,17H,2H2,1H3