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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(N(N1)[C@H](C#N)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

InChI

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