N-(5-bromanyl-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)ethanamide

Systemtic Name: N-(5-bromanyl-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)ethanamide Openeye Name: N-(5-bromo-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide CAS Name: N-(5-bromo-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide IUPAC Name: N-(5-bromo-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Traditional Name: N-(5-bromo-2-ethyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C)[N+](=O)[O-])Br

Isomeric SMILES

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C)[N+](=O)[O-])Br

InChI

InChI=1S/C13H16BrN3O3/c1-3-16-5-4-9-10(7-16)13(15-8(2)18)12(17(19)20)6-11(9)14/h6H,3-5,7H2,1-2H3,(H,15,18)