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

Systemtic Name: methyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-9-15(18(23)26-2)16(17-12(20-9)4-3-5-14(17)22)10-6-7-11(19)13(8-10)21(24)25/h6-8,15-16H,3-5H2,1-2H3/t15?,16-/m1/s1