(3R,4R)-4-(4-methoxyphenyl)-5-nitro-3-oxidanyl-pentan-2-one

Systemtic Name: (3R,4R)-4-(4-methoxyphenyl)-5-nitro-3-oxidanyl-pentan-2-one Openeye Name: (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitro-pentan-2-one CAS Name: (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitro-2-pentanone IUPAC Name: (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitropentan-2-one Traditional Name: (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitro-pentan-2-one Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-8(14)12(15)11(7-13(16)17)9-3-5-10(18-2)6-4-9/h3-6,11-12,15H,7H2,1-2H3/t11-,12-/m0/s1