(2R)-4-[(2,3-dimethylphenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,3-dimethylphenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,3-dimethylanilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,3-dimethylanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,3-dimethylanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,3-dimethylanilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCO)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO)C

InChI

InChI=1S/C14H20N2O4/c1-9-4-3-5-11(10(9)2)16-13(18)8-12(14(19)20)15-6-7-17/h3-5,12,15,17H,6-8H2,1-2H3,(H,16,18)(H,19,20)/t12-/m1/s1