2-(2-nitrophenyl)-2-[2-(trimethylazaniumyl)ethoxycarbonylamino]ethanoate

Systemtic Name: 2-(2-nitrophenyl)-2-[2-(trimethylazaniumyl)ethoxycarbonylamino]ethanoate Openeye Name: 2-(2-nitrophenyl)-2-[2-(trimethylammonio)ethoxycarbonylamino]acetate CAS Name: 2-(2-nitrophenyl)-2-[[oxo-[2-(trimethylammonio)ethoxy]methyl]amino]acetate IUPAC Name: 2-(2-nitrophenyl)-2-[2-(trimethylazaniumyl)ethoxycarbonylamino]acetate Traditional Name: 2-(2-nitrophenyl)-2-[2-(trimethylammonio)ethoxycarbonylamino]acetate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)NC(C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)NC(C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-17(2,3)8-9-23-14(20)15-12(13(18)19)10-6-4-5-7-11(10)16(21)22/h4-7,12H,8-9H2,1-3H3,(H-,15,18,19,20)