(3R,4S)-4-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-5-cyano-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: (3R,4S)-4-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-5-cyano-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-4-[3-(2-amino-2-oxo-ethoxy)phenyl]-5-cyano-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-4-[3-(2-amino-2-keto-ethoxy)phenyl]-5-cyano-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C19H16N4O4 MolecularWeight: 364.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4/c20-10-14-16(12-5-4-6-13(9-12)27-11-15(21)24)17(19(26)22-18(14)25)23-7-2-1-3-8-23/h1-9,16-17H,11H2,(H3-,21,22,24,25,26)/t16-,17+/m0/s1