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

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H14ClN3O6 MolecularWeight: 367.74116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN3O6/c1-7-13(8(2)25-18-7)15(21)24-9(3)14(20)17-12-6-10(19(22)23)4-5-11(12)16/h4-6,9H,1-3H3,(H,17,20)/t9-/m0/s1