methyl (2R)-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-octanoate

Systemtic Name: methyl (2R)-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-octanoate Openeye Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxo-octanoate CAS Name: (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxooctanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxooctanoate Traditional Name: (2R)-2-hydroxy-4-keto-2-(2-nitrobenzyl)caprylic acid methyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(CC1=CC=CC=C1[N+](=O)[O-])(C(=O)OC)O

Isomeric SMILES

CCCCC(=O)C[C@](CC1=CC=CC=C1[N+](=O)[O-])(C(=O)OC)O

InChI

InChI=1S/C16H21NO6/c1-3-4-8-13(18)11-16(20,15(19)23-2)10-12-7-5-6-9-14(12)17(21)22/h5-7,9,20H,3-4,8,10-11H2,1-2H3/t16-/m1/s1