imidazo[1,2-a]pyridin-2-ylmethyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C17H13F3N4O4 MolecularWeight: 394.30473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N4O4/c18-17(19,20)11-4-5-13(14(7-11)24(26)27)21-8-16(25)28-10-12-9-23-6-2-1-3-15(23)22-12/h1-7,9,21H,8,10H2