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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Formula: C16H12F3N3O4 MolecularWeight: 367.27939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O4/c17-16(18,19)12-7-13(21(23)24)15(14(8-12)22(25)26)20-6-5-10-3-1-2-4-11(10)9-20/h1-4,7-8H,5-6,9H2