[(2S,3S)-3-ethyloxiran-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,3S)-3-ethyloxiran-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,3S)-3-ethyloxiran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S)-3-ethyl-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-3-ethyloxiran-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S)-3-ethyloxiran-2-yl]methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-2-10-11(18-10)7-17-12(14)8-3-5-9(6-4-8)13(15)16/h3-6,10-11H,2,7H2,1H3/t10-,11-/m0/s1