methyl (2S,4S)-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(3-methyl-4-nitrophenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-methyl-4-nitrophenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2CC(NC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H]2C[C@H](NC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-8-5-9(3-4-12(8)15(17)18)20-10-6-11(14-7-10)13(16)19-2/h3-5,10-11,14H,6-7H2,1-2H3/t10-,11-/m0/s1