[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylphenoxy)propanoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)propanoic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O6/c1-12-5-3-4-6-17(12)27-10-9-18(23)28-13(2)19(24)21-16-11-14(22(25)26)7-8-15(16)20/h3-8,11,13H,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1