2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Openeye Name: 2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate IUPAC Name: 2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Traditional Name: 2-nitro-6-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Formula: C18H15F3N3O3- MolecularWeight: 378.32521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)13-6-7-15(23-8-1-2-9-23)14(10-13)22-11-12-4-3-5-16(17(12)25)24(26)27/h3-7,10-11,25H,1-2,8-9H2/p-1