[(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone

Systemtic Name: [(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Openeye Name: [(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone CAS Name: [(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone IUPAC Name: [(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone Traditional Name: [(1S)-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)C[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3/c20-17(14-7-2-1-3-8-14)18-11-10-13-6-4-5-9-15(13)16(18)12-19(21)22/h1-9,16H,10-12H2/t16-/m1/s1