[(1R)-3-methyl-1-[(2R)-oxiran-2-yl]butyl] 4-nitrobenzoate

Systemtic Name: [(1R)-3-methyl-1-[(2R)-oxiran-2-yl]butyl] 4-nitrobenzoate Openeye Name: [(1R)-3-methyl-1-[(2R)-oxiran-2-yl]butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-3-methyl-1-[(2R)-2-oxiranyl]butyl] ester IUPAC Name: [(1R)-3-methyl-1-[(2R)-oxiran-2-yl]butyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-3-methyl-1-[(2R)-oxiran-2-yl]butyl] ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CO1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H]([C@H]1CO1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-9(2)7-12(13-8-19-13)20-14(16)10-3-5-11(6-4-10)15(17)18/h3-6,9,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1