methyl (2R)-2-(2-nitrophenyl)-2-oxidanyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl (2R)-2-(2-nitrophenyl)-2-oxidanyl-4-oxidanylidene-hexanoate Openeye Name: methyl (2R)-2-hydroxy-2-(2-nitrophenyl)-4-oxo-hexanoate CAS Name: (2R)-2-hydroxy-2-(2-nitrophenyl)-4-oxohexanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-2-(2-nitrophenyl)-4-oxohexanoate Traditional Name: (2R)-2-hydroxy-4-keto-2-(2-nitrophenyl)hexanoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-3-9(15)8-13(17,12(16)20-2)10-6-4-5-7-11(10)14(18)19/h4-7,17H,3,8H2,1-2H3/t13-/m1/s1