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

Systemtic Name: 2-methylpropyl (4R)-4-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4R)-4-(2-chloro-5-nitro-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R)-4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(2-chloro-5-nitro-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5/c1-11(2)10-29-21(26)18-12(3)23-16-5-4-6-17(25)20(16)19(18)14-9-13(24(27)28)7-8-15(14)22/h7-9,11,18-19H,4-6,10H2,1-3H3/t18?,19-/m1/s1