2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl ethanoate

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl ethanoate Openeye Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propyl acetate CAS Name: acetic acid 2-[2-nitro-4-(trifluoromethyl)anilino]propyl ester IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propyl acetate Traditional Name: acetic acid 2-[2-nitro-4-(trifluoromethyl)anilino]propyl ester Formula: C12H13F3N2O4 MolecularWeight: 306.23783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O4/c1-7(6-21-8(2)18)16-10-4-3-9(12(13,14)15)5-11(10)17(19)20/h3-5,7,16H,6H2,1-2H3