ethyl 3-cyano-5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-cyano-5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-cyano-5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 3-cyano-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 3-cyano-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3O2/c1-2-18-13(17)11-10(8-14)15-16-12(11)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,15,16)