methylazanium; 2-[[3-(methylcarbamoyl)-5-nitro-phenyl]carbonylamino]ethanoic acid

Systemtic Name: methylazanium; 2-[[3-(methylcarbamoyl)-5-nitro-phenyl]carbonylamino]ethanoic acid Openeye Name: methylammonium; 2-[[3-(methylcarbamoyl)-5-nitro-benzoyl]amino]acetic acid CAS Name: methylammonium; 2-[[[3-(methylcarbamoyl)-5-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: methylazanium; 2-[[3-(methylcarbamoyl)-5-nitrobenzoyl]amino]acetic acid Traditional Name: methylammonium; 2-[[3-(methylcarbamoyl)-5-nitro-benzoyl]amino]acetic acid Formula: C12H17N4O6+ MolecularWeight: 313.28658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH3+].CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)O

Isomeric SMILES

C[NH3+].CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)O

InChI

InChI=1S/C11H11N3O6.CH5N/c1-12-10(17)6-2-7(4-8(3-6)14(19)20)11(18)13-5-9(15)16;1-2/h2-4H,5H2,1H3,(H,12,17)(H,13,18)(H,15,16);2H2,1H3/p+1