(3E)-5,5-dimethyl-3-[(4-nitrophenyl)methylidene]oxan-2-one

Systemtic Name: (3E)-5,5-dimethyl-3-[(4-nitrophenyl)methylidene]oxan-2-one Openeye Name: (3E)-5,5-dimethyl-3-[(4-nitrophenyl)methylene]tetrahydropyran-2-one CAS Name: (3E)-5,5-dimethyl-3-[(4-nitrophenyl)methylidene]-2-oxanone IUPAC Name: (3E)-5,5-dimethyl-3-[(4-nitrophenyl)methylidene]oxan-2-one Traditional Name: (3E)-5,5-dimethyl-3-(4-nitrobenzylidene)tetrahydropyran-2-one Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC1)C

Isomeric SMILES

CC1(C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)OC1)C

InChI

InChI=1S/C14H15NO4/c1-14(2)8-11(13(16)19-9-14)7-10-3-5-12(6-4-10)15(17)18/h3-7H,8-9H2,1-2H3/b11-7+