3-[(6E)-6-[(3-nitrophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(6E)-6-[(3-nitrophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propanenitrile Openeye Name: 3-[(6E)-6-[(3-nitrophenyl)methylene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propanenitrile CAS Name: 3-[(6E)-6-[(3-nitrophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propanenitrile IUPAC Name: 3-[(6E)-6-[(3-nitrophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propanenitrile Traditional Name: 3-[(6E)-6-(3-nitrobenzylidene)-4,5-dihydrocyclopenta[c]pyrazol-1-yl]propionitrile Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=C1C=NN3CCC#N

Isomeric SMILES

C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=C1C=NN3CCC#N

InChI

InChI=1S/C16H14N4O2/c17-7-2-8-19-16-13(5-6-14(16)11-18-19)9-12-3-1-4-15(10-12)20(21)22/h1,3-4,9-11H,2,5-6,8H2/b13-9+