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

Systemtic Name: N-(5-bromanyl-2-ethanoyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)ethanamide Openeye Name: N-(2-acetyl-5-bromo-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide CAS Name: N-(2-acetyl-5-bromo-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide IUPAC Name: N-(2-acetyl-5-bromo-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Traditional Name: N-(2-acetyl-5-bromo-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2CN(CCC2=C(C=C1[N+](=O)[O-])Br)C(=O)C

Isomeric SMILES

CC(=O)NC1=C2CN(CCC2=C(C=C1[N+](=O)[O-])Br)C(=O)C

InChI

InChI=1S/C13H14BrN3O4/c1-7(18)15-13-10-6-16(8(2)19)4-3-9(10)11(14)5-12(13)17(20)21/h5H,3-4,6H2,1-2H3,(H,15,18)