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4-methyl-2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate
4-methyl-2-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(C(=C1)C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[O-])[N+](=O)[O-]
Isomeric SMILES
CC1=CC(=C(C(=C1)C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H18F3N3O3/c1-12-8-13(18(26)17(9-12)25(27)28)11-23-15-10-14(19(20,21)22)4-5-16(15)24-6-2-3-7-24/h4-5,8-11,26H,2-3,6-7H2,1H3/p-1
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