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

Systemtic Name: 3-nitro-4-(pyridin-3-ylmethylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(3-pyridylmethylamino)benzonitrile CAS Name: 3-nitro-4-(3-pyridinylmethylamino)benzonitrile IUPAC Name: 3-nitro-4-(pyridin-3-ylmethylamino)benzonitrile Traditional Name: 3-nitro-4-(3-pyridylmethylamino)benzonitrile Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2/c14-7-10-3-4-12(13(6-10)17(18)19)16-9-11-2-1-5-15-8-11/h1-6,8,16H,9H2