(2S)-4-[(2,4-dichlorophenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(2,4-dichlorophenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(2,4-dichloroanilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(2,4-dichloroanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-(2,4-dichloroanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(2,4-dichloroanilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C12H14Cl2N2O4 MolecularWeight: 321.15656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCO

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCO

InChI

InChI=1S/C12H14Cl2N2O4/c13-7-1-2-9(8(14)5-7)16-11(18)6-10(12(19)20)15-3-4-17/h1-2,5,10,15,17H,3-4,6H2,(H,16,18)(H,19,20)/t10-/m0/s1