2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C18H16F3N3O6 MolecularWeight: 427.33135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16F3N3O6/c1-29-15-5-10-3-4-22(9-11(10)6-16(15)30-2)17-13(23(25)26)7-12(18(19,20)21)8-14(17)24(27)28/h5-8H,3-4,9H2,1-2H3