2-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C18H16ClF3N2O4 MolecularWeight: 416.77885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3N2O4/c1-27-16-5-10-3-4-23(9-11(10)6-17(16)28-2)14-8-13(19)12(18(20,21)22)7-15(14)24(25)26/h5-8H,3-4,9H2,1-2H3