1-(6-nitro-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(6-nitro-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C11H12N2O4 MolecularWeight: 236.22398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4/c1-7(14)12-3-2-8-4-10(13(16)17)11(15)5-9(8)6-12/h4-5,15H,2-3,6H2,1H3