2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-pyridin-1-ium-3-yl-prop-2-enamide

Systemtic Name: 2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-pyridin-1-ium-3-yl-prop-2-enamide Openeye Name: 2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-pyridin-1-ium-3-yl-prop-2-enamide CAS Name: 2-cyano-N-(2-methoxy-5-nitrophenyl)-3-(3-pyridin-1-iumyl)-2-propenamide IUPAC Name: 2-cyano-N-(2-methoxy-5-nitrophenyl)-3-pyridin-1-ium-3-ylprop-2-enamide Traditional Name: 2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-pyridin-1-ium-3-yl-acrylamide Formula: C16H13N4O4+ MolecularWeight: 325.29882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=C[NH+]=CC=C2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=C[NH+]=CC=C2)C#N

InChI

InChI=1S/C16H12N4O4/c1-24-15-5-4-13(20(22)23)8-14(15)19-16(21)12(9-17)7-11-3-2-6-18-10-11/h2-8,10H,1H3,(H,19,21)/p+1