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