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

Systemtic Name: [(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-8-13(9(2)24-17-8)15(20)23-10(3)14(19)16-11-4-6-12(7-5-11)18(21)22/h4-7,10H,1-3H3,(H,16,19)/t10-/m0/s1