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2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]isoindole-1,3-dione
2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]isoindole-1,3-dione
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C2C(=C1)C(=O)N(C2=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C17H12F3N3O4/c18-17(19,20)10-5-6-13(14(9-10)23(26)27)21-7-8-22-15(24)11-3-1-2-4-12(11)16(22)25/h1-6,9,21H,7-8H2
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