[(2R,3R)-3-(4-methoxy-4-oxidanylidene-butyl)oxiran-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2R,3R)-3-(4-methoxy-4-oxidanylidene-butyl)oxiran-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2R,3R)-3-(4-methoxy-4-oxo-butyl)oxiran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R)-3-(4-methoxy-4-oxobutyl)-2-oxiranyl]methyl ester IUPAC Name: [(2R,3R)-3-(4-methoxy-4-oxobutyl)oxiran-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3R)-3-(4-keto-4-methoxy-butyl)oxiran-2-yl]methyl ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO7/c1-21-14(17)4-2-3-12-13(23-12)9-22-15(18)10-5-7-11(8-6-10)16(19)20/h5-8,12-13H,2-4,9H2,1H3/t12-,13-/m1/s1