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

Systemtic Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-azanyl-3-nitro-phenyl)methanone Openeye Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-3-nitro-phenyl)methanone CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-3-nitrophenyl)methanone IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-3-nitrophenyl)methanone Traditional Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-3-nitro-phenyl)methanone Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c17-14-6-5-12(9-15(14)19(21)22)16(20)18-8-7-11-3-1-2-4-13(11)10-18/h5-6,9,11,13H,1-4,7-8,10,17H2