3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone

Systemtic Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone Openeye Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone Traditional Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-nitrophenyl)methanone Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2CN(CCC2C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O3/c19-16(13-6-3-7-15(10-13)18(20)21)17-9-8-12-4-1-2-5-14(12)11-17/h3,6-7,10,12,14H,1-2,4-5,8-9,11H2