(3aS,7aS)-7a-methyl-5-(nitromethyl)-3a-oxidanyl-2,3,6,7-tetrahydroinden-1-one

Systemtic Name: (3aS,7aS)-7a-methyl-5-(nitromethyl)-3a-oxidanyl-2,3,6,7-tetrahydroinden-1-one Openeye Name: (3aS,7aS)-3a-hydroxy-7a-methyl-5-(nitromethyl)-2,3,6,7-tetrahydroinden-1-one CAS Name: (3aS,7aS)-3a-hydroxy-7a-methyl-5-(nitromethyl)-2,3,6,7-tetrahydroinden-1-one IUPAC Name: (3aS,7aS)-3a-hydroxy-7a-methyl-5-(nitromethyl)-2,3,6,7-tetrahydroinden-1-one Traditional Name: (3aS,7aS)-3a-hydroxy-7a-methyl-5-(nitromethyl)-2,3,6,7-tetrahydroinden-1-one Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=CC1(CCC2=O)O)C[N+](=O)[O-]

Isomeric SMILES

C[C@]12CCC(=C[C@]1(CCC2=O)O)C[N+](=O)[O-]

InChI

InChI=1S/C11H15NO4/c1-10-4-2-8(7-12(15)16)6-11(10,14)5-3-9(10)13/h6,14H,2-5,7H2,1H3/t10-,11+/m1/s1