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

Systemtic Name: (3S)-3-[(R)-(3-nitrophenyl)-oxidanyl-methyl]oxan-4-one Openeye Name: (3S)-3-[(R)-hydroxy-(3-nitrophenyl)methyl]tetrahydropyran-4-one CAS Name: (3S)-3-[(R)-hydroxy-(3-nitrophenyl)methyl]-4-oxanone IUPAC Name: (3S)-3-[(R)-hydroxy-(3-nitrophenyl)methyl]oxan-4-one Traditional Name: (3S)-3-[(R)-hydroxy-(3-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/c14-11-4-5-18-7-10(11)12(15)8-2-1-3-9(6-8)13(16)17/h1-3,6,10,12,15H,4-5,7H2/t10-,12+/m1/s1