(3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]oxan-2-one

Systemtic Name: (3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]oxan-2-one Openeye Name: (3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]tetrahydropyran-2-one CAS Name: (3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]-2-oxanone IUPAC Name: (3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]oxan-2-one Traditional Name: (3S)-3-methyl-3-[(E)-2-nitroprop-1-enyl]tetrahydropyran-2-one Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1(CCCOC1=O)C)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\[C@@]1(CCCOC1=O)C)/[N+](=O)[O-]

InChI

InChI=1S/C9H13NO4/c1-7(10(12)13)6-9(2)4-3-5-14-8(9)11/h6H,3-5H2,1-2H3/b7-6+/t9-/m0/s1