(2S)-2-(3-methoxy-2-oxidanyl-phenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(3-methoxy-2-oxidanyl-phenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-hydroxy-3-methoxy-phenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: (2S)-2-(2-hydroxy-3-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: (2S)-2-(2-hydroxy-3-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: (2S)-2-(2-hydroxy-3-methoxy-phenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(C#N)C2=C(C(=CC=C2)OC)O

Isomeric SMILES

CC1=NN(C(C1)(C)C)[C@H](C#N)C2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C15H19N3O2/c1-10-8-15(2,3)18(17-10)12(9-16)11-6-5-7-13(20-4)14(11)19/h5-7,12,19H,8H2,1-4H3/t12-/m1/s1