[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C18H22N2O5/c21-18(19-6-5-12-3-1-2-4-13(12)11-19)14-9-16-17(25-8-7-24-16)10-15(14)20(22)23/h9-10,12-13H,1-8,11H2/t12-,13-/m1/s1