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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-12(16)10-6-8(7-13-10)5-9-3-1-2-4-11(9)14(17)18/h1-4,8,10,13H,5-7H2,(H,15,16)/t8-,10+/m1/s1