1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(5,7-dinitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C11H11N3O5 MolecularWeight: 265.22214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5/c1-7(15)12-3-2-10-8(6-12)4-9(13(16)17)5-11(10)14(18)19/h4-5H,2-3,6H2,1H3