1-nitropropane; (E)-3-phenylprop-2-enenitrile

Systemtic Name: 1-nitropropane; (E)-3-phenylprop-2-enenitrile Openeye Name: 1-nitropropane; (E)-3-phenylprop-2-enenitrile CAS Name: 1-nitropropane; (E)-3-phenyl-2-propenenitrile IUPAC Name: 1-nitropropane; (E)-3-phenylprop-2-enenitrile Traditional Name: 1-nitropropane; (E)-3-phenylacrylonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N.C3H7NO2/c10-8-4-7-9-5-2-1-3-6-9;1-2-3-4(5)6/h1-7H;2-3H2,1H3/b7-4+;