(3S)-3-[(R)-(2-nitrophenyl)-oxidanyl-methyl]oxan-4-one

Systemtic Name: (3S)-3-[(R)-(2-nitrophenyl)-oxidanyl-methyl]oxan-4-one Openeye Name: (3S)-3-[(R)-hydroxy-(2-nitrophenyl)methyl]tetrahydropyran-4-one CAS Name: (3S)-3-[(R)-hydroxy-(2-nitrophenyl)methyl]-4-oxanone IUPAC Name: (3S)-3-[(R)-hydroxy-(2-nitrophenyl)methyl]oxan-4-one Traditional Name: (3S)-3-[(R)-hydroxy-(2-nitrophenyl)methyl]tetrahydropyran-4-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(C1=O)C(C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C1COC[C@H](C1=O)[C@H](C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C12H13NO5/c14-11-5-6-18-7-9(11)12(15)8-3-1-2-4-10(8)13(16)17/h1-4,9,12,15H,5-7H2/t9-,12+/m1/s1