dimethyl (2S,3R)-2-(4-bromophenyl)-3-nitro-cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl (2S,3R)-2-(4-bromophenyl)-3-nitro-cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl (2S,3R)-2-(4-bromophenyl)-3-nitro-cyclopropane-1,1-dicarboxylate CAS Name: (2S,3R)-2-(4-bromophenyl)-3-nitrocyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-2-(4-bromophenyl)-3-nitrocyclopropane-1,1-dicarboxylate Traditional Name: (2S,3R)-2-(4-bromophenyl)-3-nitro-cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C13H12BrNO6 MolecularWeight: 358.14148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C1[N+](=O)[O-])C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1([C@@H]([C@H]1[N+](=O)[O-])C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H12BrNO6/c1-20-11(16)13(12(17)21-2)9(10(13)15(18)19)7-3-5-8(14)6-4-7/h3-6,9-10H,1-2H3/t9-,10-/m1/s1