3-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]propanenitrile CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]propanenitrile IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]propanenitrile Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]propionitrile Formula: C16H11ClF3N3O3 MolecularWeight: 385.72505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])NCCC#N

InChI

InChI=1S/C16H11ClF3N3O3/c17-12-8-10(16(18,19)20)2-5-15(12)26-11-3-4-14(23(24)25)13(9-11)22-7-1-6-21/h2-5,8-9,22H,1,7H2