[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C19H19ClN2O5/c1-10-7-11(2)17(12(3)8-10)19(24)27-13(4)18(23)21-16-9-14(22(25)26)5-6-15(16)20/h5-9,13H,1-4H3,(H,21,23)/t13-/m0/s1