N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N4O4S/c18-17(19,20)10-3-4-11(13(8-10)24(26)27)21-5-6-22-16(25)12-9-14(28-23-12)15-2-1-7-29-15/h1-4,7-9,21H,5-6H2,(H,22,25)