1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile

Systemtic Name: 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile Openeye Name: 1-[2-(3-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carbonitrile CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-4-carbonitrile Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]pyridin-1-ium-4-carbonitrile Formula: C14H10N3O3+ MolecularWeight: 268.2475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H10N3O3/c15-9-11-4-6-16(7-5-11)10-14(18)12-2-1-3-13(8-12)17(19)20/h1-8H,10H2/q+1