[(2S)-2-acetyloxy-2-(5-cyano-2-phenyl-pyrazol-3-yl)ethyl] ethanoate

Systemtic Name: [(2S)-2-acetyloxy-2-(5-cyano-2-phenyl-pyrazol-3-yl)ethyl] ethanoate Openeye Name: [(2S)-2-acetoxy-2-(5-cyano-2-phenyl-pyrazol-3-yl)ethyl] acetate CAS Name: acetic acid [(2S)-2-acetyloxy-2-(5-cyano-2-phenyl-3-pyrazolyl)ethyl] ester IUPAC Name: [(2S)-2-acetyloxy-2-(5-cyano-2-phenylpyrazol-3-yl)ethyl] acetate Traditional Name: acetic acid [(2S)-2-acetoxy-2-(5-cyano-2-phenyl-pyrazol-3-yl)ethyl] ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC(=NN1C2=CC=CC=C2)C#N)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H](C1=CC(=NN1C2=CC=CC=C2)C#N)OC(=O)C

InChI

InChI=1S/C16H15N3O4/c1-11(20)22-10-16(23-12(2)21)15-8-13(9-17)18-19(15)14-6-4-3-5-7-14/h3-8,16H,10H2,1-2H3/t16-/m1/s1