(3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-2-keto-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-olate Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(NC2=O)[O-])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H]2[C@H](C(=C(NC2=O)[O-])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4/c1-11-3-2-8-21(10-11)16-15(14(9-19)17(23)20-18(16)24)12-4-6-13(7-5-12)22(25)26/h2-8,10,15-16H,1H3,(H-,20,23,24)/t15-,16+/m0/s1