4-[(3-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-nitro-2-oxo-1-pyridyl)methyl]benzonitrile CAS Name: 4-[(3-nitro-2-oxo-1-pyridinyl)methyl]benzonitrile IUPAC Name: 4-[(3-nitro-2-oxopyridin-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-keto-3-nitro-1-pyridyl)methyl]benzonitrile Formula: C13H9N3O3 MolecularWeight: 255.22886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O3/c14-8-10-3-5-11(6-4-10)9-15-7-1-2-12(13(15)17)16(18)19/h1-7H,9H2