(2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one

Systemtic Name: (2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Openeye Name: (2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one CAS Name: (2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one IUPAC Name: (2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Traditional Name: (2S,3S)-3,5-dimethyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC=C(C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H](OC=C(C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-8-7-18-13(9(2)12(8)15)10-3-5-11(6-4-10)14(16)17/h3-7,9,13H,1-2H3/t9-,13+/m1/s1