5-nitro-2-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylamino]benzonitrile CAS Name: 5-nitro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propylamino]benzonitrile IUPAC Name: 5-nitro-2-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzonitrile Traditional Name: 5-nitro-2-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylamino]benzonitrile Formula: C16H14F3N5O2 MolecularWeight: 365.30987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCCNC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCCNC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N5O2/c17-16(18,19)12-2-5-15(23-10-12)22-7-1-6-21-14-4-3-13(24(25)26)8-11(14)9-20/h2-5,8,10,21H,1,6-7H2,(H,22,23)