disodium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(4-propan-2-ylphenyl)amino]ethanoate

Systemtic Name: disodium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(4-propan-2-ylphenyl)amino]ethanoate Openeye Name: disodium 2-(4-isopropyl-N-(2-oxido-2-oxo-ethyl)anilino)acetate CAS Name: disodium 2-(N-(2-oxido-2-oxoethyl)-4-propan-2-ylanilino)acetate IUPAC Name: disodium 2-(N-(2-oxido-2-oxoethyl)-4-propan-2-ylanilino)acetate Traditional Name: disodium 2-(4-isopropyl-N-(2-keto-2-oxido-ethyl)anilino)acetate Formula: C13H15NNa2O4 MolecularWeight: 295.24204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H17NO4.2Na/c1-9(2)10-3-5-11(6-4-10)14(7-12(15)16)8-13(17)18;;/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,17,18);;/q;2*+1/p-2