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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-11(16)12(6-1-7-13-12)8-9-2-4-10(5-3-9)14(17)18/h2-5,13H,1,6-8H2,(H,15,16)/t12-/m0/s1