4-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 4-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine Openeye Name: 4-nitro-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine CAS Name: 4-nitro-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine IUPAC Name: 4-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine Traditional Name: (4-nitrobenzofurazan-5-yl)-[2-piperidino-5-(trifluoromethyl)phenyl]amine Formula: C18H16F3N5O3 MolecularWeight: 407.34655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O3/c19-18(20,21)11-4-7-15(25-8-2-1-3-9-25)14(10-11)22-13-6-5-12-16(24-29-23-12)17(13)26(27)28/h4-7,10,22H,1-3,8-9H2