(phenylmethyl) (4S)-4-(4-chloranyl-3-nitro-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4S)-4-(4-chloranyl-3-nitro-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4S)-4-(4-chloro-3-nitro-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-chloro-3-nitro-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C24H21ClN2O5 MolecularWeight: 452.88694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)CCC2

InChI

InChI=1S/C24H21ClN2O5/c1-14-21(24(29)32-13-15-6-3-2-4-7-15)22(23-18(26-14)8-5-9-20(23)28)16-10-11-17(25)19(12-16)27(30)31/h2-4,6-7,10-12,21-22H,5,8-9,13H2,1H3/t21?,22-/m1/s1