(E,4R,5R)-2,4-dimethyl-5-(4-nitrophenyl)-5-oxidanyl-pent-2-enal

Systemtic Name: (E,4R,5R)-2,4-dimethyl-5-(4-nitrophenyl)-5-oxidanyl-pent-2-enal Openeye Name: (E,4R,5R)-5-hydroxy-2,4-dimethyl-5-(4-nitrophenyl)pent-2-enal CAS Name: (E,4R,5R)-5-hydroxy-2,4-dimethyl-5-(4-nitrophenyl)-2-pentenal IUPAC Name: (E,4R,5R)-5-hydroxy-2,4-dimethyl-5-(4-nitrophenyl)pent-2-enal Traditional Name: (E,4R,5R)-5-hydroxy-2,4-dimethyl-5-(4-nitrophenyl)pent-2-enal Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9(8-15)7-10(2)13(16)11-3-5-12(6-4-11)14(17)18/h3-8,10,13,16H,1-2H3/b9-7+/t10-,13-/m1/s1