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Amb2384078

Duplicate ID
Molecule Name methyl 2-(2-(2-nitro-1-(nitromethyl)ethyl)-1H-pyrrol-1-yl)benzoate (en)Benzoic acid, 2-[2-[2-nitro-1-(nitromethyl)ethyl]-1H-pyrrol-1-yl]-, methyl ester (en)
SmilesCOC(=O)c1ccccc1n1cccc1C(C[N+](=O)[O-])C[N+](=O)[O-]
InchiKeyRVFKQHVLCLFDRD-UHFFFAOYSA-N
InChi InChI=1S/C15H15N3O6/c1-24-15(19)12-5-2-3-6-14(12)16-8-4-7-13(16)11(9-17(20)21)10-18(22)23/h2-8,11H,9-10H2,1H3
Formula C15H15N3O6
Molecular weight 333.296
Rings 2
logP 2.9473
PSA 122.87
MR 87.8385
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