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

Systemtic Name: (4-cyanophenyl)methyl 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (4-cyanophenyl)methyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (4-cyanobenzyl) ester Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14F3N3O4/c19-18(20,21)14-5-6-15(16(9-14)24(26)27)23-8-7-17(25)28-11-13-3-1-12(10-22)2-4-13/h1-6,9,23H,7-8,11H2