(1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-2-benzofuran-5-one

Systemtic Name: (1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-2-benzofuran-5-one Openeye Name: (1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-isobenzofuran-5-one CAS Name: (1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-isobenzofuran-5-one IUPAC Name: (1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-2-benzofuran-5-one Traditional Name: (1S,3aS)-1-(nitromethyl)-3,3a,4,6-tetrahydro-1H-isobenzofuran-5-one Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CC1=O)COC2C[N+](=O)[O-]

Isomeric SMILES

C1C=C2[C@H](CC1=O)CO[C@@H]2C[N+](=O)[O-]

InChI

InChI=1S/C9H11NO4/c11-7-1-2-8-6(3-7)5-14-9(8)4-10(12)13/h2,6,9H,1,3-5H2/t6-,9-/m1/s1