[(1S)-1-(3-nitrophenyl)ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=NOC(=C1C(=O)O[C@@H](C)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H13N3O5/c1-7-11(12(14)21-15-7)13(17)20-8(2)9-4-3-5-10(6-9)16(18)19/h3-6,8H,14H2,1-2H3/t8-/m0/s1