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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-13-10-16(6-7-17(13)20(22)23)24-12-18(21)19-9-8-14-4-2-3-5-15(14)11-19/h2-7,10H,8-9,11-12H2,1H3