[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [(1S)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [(1S)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H16ClN3O6 MolecularWeight: 429.81054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6/c1-11-17(12(2)30-23-11)20(26)29-18(13-6-4-3-5-7-13)19(25)22-14-8-9-15(21)16(10-14)24(27)28/h3-10,18H,1-2H3,(H,22,25)/t18-/m0/s1