(1-cyanoindolizin-2-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H13F3N4O4 MolecularWeight: 418.32613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H13F3N4O4/c20-19(21,22)13-4-5-15(17(7-13)26(28)29)24-9-18(27)30-11-12-10-25-6-2-1-3-16(25)14(12)8-23/h1-7,10,24H,9,11H2