(2S)-2-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(3-nitrophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(3-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(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c15-11(16)12(5-2-6-13-12)8-9-3-1-4-10(7-9)14(17)18/h1,3-4,7,13H,2,5-6,8H2,(H,15,16)/t12-/m0/s1