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

Systemtic Name: (3-cyanophenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-cyanobenzyl) ester Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H12F3N3O4/c18-17(19,20)13-4-5-14(15(7-13)23(25)26)22-9-16(24)27-10-12-3-1-2-11(6-12)8-21/h1-7,22H,9-10H2