methyl (2S)-1-(2,6-dinitrophenyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2,6-dinitrophenyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(2,6-dinitrophenyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2,6-dinitrophenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2,6-dinitrophenyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2,6-dinitrophenyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-21-12(16)10-6-3-7-13(10)11-8(14(17)18)4-2-5-9(11)15(19)20/h2,4-5,10H,3,6-7H2,1H3/t10-/m0/s1