1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]ethanone Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-12(20)14-6-7-16(17(10-14)19(21)22)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3