[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Cl)C

InChI

InChI=1S/C18H18ClN3O6/c1-9-7-10(2)20-16(19)15(9)18(24)28-11(3)17(23)21-13-8-12(22(25)26)5-6-14(13)27-4/h5-8,11H,1-4H3,(H,21,23)/t11-/m0/s1