(2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: (2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: (2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: (2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: (2S)-2-(3-nitrophenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2/c1-10-8-14(2,3)17(16-10)13(9-15)11-5-4-6-12(7-11)18(19)20/h4-7,13H,8H2,1-3H3/t13-/m1/s1