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4-cyano-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]benzamide
4-cyano-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]benzamide
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC=C1C#N)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
C1=CC(=CC=C1C#N)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C17H13F3N4O3/c18-17(19,20)13-5-6-14(15(9-13)24(26)27)22-7-8-23-16(25)12-3-1-11(10-21)2-4-12/h1-6,9,22H,7-8H2,(H,23,25)
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