sodium 2-[(4-chlorophenyl)amino]-3-methyl-butanoate

Systemtic Name: sodium 2-[(4-chlorophenyl)amino]-3-methyl-butanoate Openeye Name: sodium 2-(4-chloroanilino)-3-methyl-butanoate CAS Name: sodium 2-(4-chloroanilino)-3-methylbutanoate IUPAC Name: sodium 2-(4-chloroanilino)-3-methylbutanoate Traditional Name: sodium 2-(4-chloroanilino)-3-methyl-butyrate Formula: C11H13ClNNaO2 MolecularWeight: 249.66919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC1=CC=C(C=C1)Cl.[Na+]

Isomeric SMILES

CC(C)C(C(=O)[O-])NC1=CC=C(C=C1)Cl.[Na+]

InChI

InChI=1S/C11H14ClNO2.Na/c1-7(2)10(11(14)15)13-9-5-3-8(12)4-6-9;/h3-7,10,13H,1-2H3,(H,14,15);/q;+1/p-1