5-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-nitro-benzoate

Systemtic Name: 5-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-nitro-benzoate Openeye Name: 5-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-nitro-benzoate CAS Name: 5-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-2-nitrobenzoate IUPAC Name: 5-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-nitrobenzoate Traditional Name: 5-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-nitro-benzoate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-2-16-7-3-4-11(16)9-15-10-5-6-13(17(20)21)12(8-10)14(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,18,19)/t11-/m0/s1