cyclohexylmethyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cyclohexylmethyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cyclohexylmethyl (4S)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(4-chloro-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclohexylmethyl ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3CCCCC3

Isomeric SMILES

CC1=C([C@@H](CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3CCCCC3

InChI

InChI=1S/C20H23ClN2O5/c1-12-19(20(25)28-11-13-5-3-2-4-6-13)15(10-18(24)22-12)14-7-8-16(21)17(9-14)23(26)27/h7-9,13,15H,2-6,10-11H2,1H3,(H,22,24)/t15-/m0/s1