[(1S)-1-(3-nitrophenyl)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C2=CC(=CC=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H15ClN2O4/c1-9-7-10(2)18-15(17)14(9)16(20)23-11(3)12-5-4-6-13(8-12)19(21)22/h4-8,11H,1-3H3/t11-/m0/s1