2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-nitro-4-triflyl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C16H13F3N2O4S MolecularWeight: 386.34563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O4S/c17-16(18,19)26(24,25)13-5-6-14(15(9-13)21(22)23)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2