(3S,3aR,6aS)-3-methyl-3a-nitro-3-oxidanyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

Systemtic Name: (3S,3aR,6aS)-3-methyl-3a-nitro-3-oxidanyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one Openeye Name: (3S,3aR,6aS)-3-hydroxy-3-methyl-3a-nitro-4,5,6,6a-tetrahydro-1H-pentalen-2-one CAS Name: (3S,3aR,6aS)-3-hydroxy-3-methyl-3a-nitro-4,5,6,6a-tetrahydro-1H-pentalen-2-one IUPAC Name: (3S,3aR,6aS)-3-hydroxy-3-methyl-3a-nitro-4,5,6,6a-tetrahydro-1H-pentalen-2-one Traditional Name: (3S,3aR,6aS)-3-hydroxy-3-methyl-3a-nitro-4,5,6,6a-tetrahydro-1H-pentalen-2-one Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CC2C1(CCC2)[N+](=O)[O-])O

Isomeric SMILES

C[C@]1(C(=O)C[C@H]2[C@@]1(CCC2)[N+](=O)[O-])O

InChI

InChI=1S/C9H13NO4/c1-8(12)7(11)5-6-3-2-4-9(6,8)10(13)14/h6,12H,2-5H2,1H3/t6-,8+,9+/m0/s1