1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H18N2O5/c1-24-16-7-6-15(20(22)23)10-17(16)25-12-18(21)19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11-12H2,1H3