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methyl (2R)-2-[2-bromoethyl-(2,4-dinitrophenyl)sulfonyl-amino]propanoate
methyl (2R)-2-[2-bromoethyl-(2,4-dinitrophenyl)sulfonyl-amino]propanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C(=O)OC)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES
C[C@H](C(=O)OC)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H14BrN3O8S/c1-8(12(17)24-2)14(6-5-13)25(22,23)11-4-3-9(15(18)19)7-10(11)16(20)21/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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