methyl (2S)-4-(2-chloranyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2-chloranyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-4-(2-chloro-4-nitro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S)-4-(2-chloro-4-nitrophenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2-chloro-4-nitrophenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S)-4-(2-chloro-4-nitro-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@@H]1CC(CN1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5/c1-19-12(16)10-5-8(6-14-10)20-11-3-2-7(15(17)18)4-9(11)13/h2-4,8,10,14H,5-6H2,1H3/t8?,10-/m0/s1