2-[[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate

Systemtic Name: 2-[[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate Openeye Name: 2-[[2-(2,6-diethylanilino)-2-oxo-ethyl]-(2-oxido-2-oxo-ethyl)ammonio]acetate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]-(2-oxido-2-oxoethyl)ammonio]acetate IUPAC Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]-(2-oxido-2-oxoethyl)azaniumyl]acetate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]-(2-keto-2-oxido-ethyl)ammonio]acetate Formula: C16H21N2O5- MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/p-1