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

Systemtic Name: 1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O3/c1-8(14)12-5-4-9-2-3-11(13(15)16)6-10(9)7-12/h2-3,6H,4-5,7H2,1H3