butyl (4R,7R)-2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: butyl (4R,7R)-2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: butyl (4R,7R)-4-(4-hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R,7R)-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(4-hydroxy-3-nitro-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O6/c1-3-4-12-35-27(32)24-16(2)28-20-13-19(17-8-6-5-7-9-17)15-23(31)26(20)25(24)18-10-11-22(30)21(14-18)29(33)34/h5-11,14,19,25,28,30H,3-4,12-13,15H2,1-2H3/t19-,25+/m1/s1