3,5-dinitro-4-(pyridin-3-ylmethylamino)benzenecarbonitrile

Systemtic Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzenecarbonitrile Openeye Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzonitrile CAS Name: 3,5-dinitro-4-(3-pyridinylmethylamino)benzonitrile IUPAC Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzonitrile Traditional Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzonitrile Formula: C13H9N5O4 MolecularWeight: 299.24166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O4/c14-6-10-4-11(17(19)20)13(12(5-10)18(21)22)16-8-9-2-1-3-15-7-9/h1-5,7,16H,8H2