[(1S)-1-cyanoethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3O2/c1-9(8-14)18-13(17)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7,9H,1H3,(H,15,16)/t9-/m0/s1