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2-(2,6-dimethylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone
2-(2,6-dimethylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O4/c1-14-4-3-5-15(2)19(14)27-13-18(24)22-10-8-21(9-11-22)16-6-7-17(20-12-16)23(25)26/h3-7,12H,8-11,13H2,1-2H3
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- (4R)-4-(1H-indol-3-yl)-3-nitro-4-phenyl-but-2-en-2-olate
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