cyclooctyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cyclooctyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cyclooctyl (4S)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(4-chloro-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C([C@@H](CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H25ClN2O5/c1-13-20(21(26)29-15-7-5-3-2-4-6-8-15)16(12-19(25)23-13)14-9-10-17(22)18(11-14)24(27)28/h9-11,15-16H,2-8,12H2,1H3,(H,23,25)/t16-/m0/s1