3-nitro-4-(pyridin-4-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(pyridin-4-ylmethyl)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-pyridylmethyl)benzonitrile CAS Name: 3-nitro-4-(pyridin-4-ylmethyl)benzonitrile IUPAC Name: 3-nitro-4-(pyridin-4-ylmethyl)benzonitrile Traditional Name: 3-nitro-4-(4-pyridylmethyl)benzonitrile Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC2=CC=NC=C2

InChI

InChI=1S/C13H9N3O2/c14-9-11-1-2-12(13(8-11)16(17)18)7-10-3-5-15-6-4-10/h1-6,8H,7H2