(3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]oxan-4-one

Systemtic Name: (3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]oxan-4-one Openeye Name: (3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]tetrahydropyran-4-one CAS Name: (3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]-4-oxanone IUPAC Name: (3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]oxan-4-one Traditional Name: (3R)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]tetrahydropyran-4-one Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c16-13-4-5-21-8-12(13)11(7-14(17)18)9-2-1-3-10(6-9)15(19)20/h1-3,6,11-12H,4-5,7-8H2/t11-,12-/m0/s1