(2S)-2-(4-nitrophenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (2S)-2-(4-nitrophenyl)-3-oxidanylidene-pentanenitrile Openeye Name: (2S)-2-(4-nitrophenyl)-3-oxo-pentanenitrile CAS Name: (2S)-2-(4-nitrophenyl)-3-oxopentanenitrile IUPAC Name: (2S)-2-(4-nitrophenyl)-3-oxopentanenitrile Traditional Name: (2S)-3-keto-2-(4-nitrophenyl)valeronitrile Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)[C@H](C#N)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O3/c1-2-11(14)10(7-12)8-3-5-9(6-4-8)13(15)16/h3-6,10H,2H2,1H3/t10-/m1/s1