(2S)-2-(4-nitrophenyl)-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-nitrophenyl)-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(4-nitrophenyl)-2-(5-phenyl-1,3-dihydropyrazol-2-yl)acetonitrile CAS Name: (2S)-2-(4-nitrophenyl)-2-(5-phenyl-1,3-dihydropyrazol-2-yl)acetonitrile IUPAC Name: (2S)-2-(4-nitrophenyl)-2-(5-phenyl-1,3-dihydropyrazol-2-yl)acetonitrile Traditional Name: (2S)-2-(4-nitrophenyl)-2-(3-phenyl-3-pyrazolin-1-yl)acetonitrile Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(NN1C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C=C(NN1[C@H](C#N)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c18-12-17(14-6-8-15(9-7-14)21(22)23)20-11-10-16(19-20)13-4-2-1-3-5-13/h1-10,17,19H,11H2/t17-/m1/s1