[(2S,4R)-4-oxidanylpentan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2S,4R)-4-oxidanylpentan-2-yl] 4-nitrobenzoate Openeye Name: [(1S,3R)-3-hydroxy-1-methyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,4R)-4-hydroxypentan-2-yl] ester IUPAC Name: [(2S,4R)-4-hydroxypentan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3R)-3-hydroxy-1-methyl-butyl] ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

C[C@H](C[C@H](C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO5/c1-8(14)7-9(2)18-12(15)10-3-5-11(6-4-10)13(16)17/h3-6,8-9,14H,7H2,1-2H3/t8-,9+/m1/s1