(2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-nitrobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-12(16)11-2-1-7-13(11)8-9-3-5-10(6-4-9)14(17)18/h3-6,11H,1-2,7-8H2,(H,15,16)/t11-/m0/s1