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

Systemtic Name: phenethyl (4R)-4-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C25H23ClN2O5 MolecularWeight: 466.91352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)CCC2

InChI

InChI=1S/C25H23ClN2O5/c1-15-22(25(30)33-13-12-16-6-3-2-4-7-16)23(24-20(27-15)8-5-9-21(24)29)18-14-17(28(31)32)10-11-19(18)26/h2-4,6-7,10-11,14,22-23H,5,8-9,12-13H2,1H3/t22?,23-/m1/s1