(4-acetamidophenyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (4-acetamidophenyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (4-acetamidophenyl) 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (4-acetamidophenyl) ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O5/c1-11(25)23-13-3-5-14(6-4-13)29-17(26)8-9-22-15-7-2-12(18(19,20)21)10-16(15)24(27)28/h2-7,10,22H,8-9H2,1H3,(H,23,25)