ethyl (2S,3S)-3-(4-nitrophenyl)carbonyloxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-(4-nitrophenyl)carbonyloxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-(4-nitrobenzoyl)oxirane-2-carboxylate CAS Name: (2S,3S)-3-[(4-nitrophenyl)-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(4-nitrobenzoyl)oxirane-2-carboxylate Traditional Name: (2S,3S)-3-(4-nitrobenzoyl)oxirane-2-carboxylic acid ethyl ester Formula: C12H11NO6 MolecularWeight: 265.21884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](O1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO6/c1-2-18-12(15)11-10(19-11)9(14)7-3-5-8(6-4-7)13(16)17/h3-6,10-11H,2H2,1H3/t10-,11+/m1/s1