2-[(Z)-1-acetyloxy-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid

Systemtic Name: 2-[(Z)-1-acetyloxy-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid Openeye Name: 2-[(Z)-1-acetoxy-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid CAS Name: 2-[(Z)-1-acetyloxy-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-6-(2-furanyl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid IUPAC Name: 2-[(Z)-1-acetyloxy-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid Traditional Name: 2-[(Z)-1-acetoxy-2-cyano-3-hydroxy-3-keto-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid Formula: C27H20N4O9 MolecularWeight: 544.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=C(C#N)C(=O)O)C1C(C(C=C(N1C2=CC=NC=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)O/C(=C(/C#N)\C(=O)O)/C1C(C(C=C(N1C2=CC=NC=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H20N4O9/c1-15(32)40-25(19(14-28)26(33)34)24-23(27(35)36)18(17-5-2-3-6-20(17)31(37)38)13-21(22-7-4-12-39-22)30(24)16-8-10-29-11-9-16/h2-13,18,23-24H,1H3,(H,33,34)(H,35,36)/b25-19-