sodium 2-[(4-acetamidophenyl)carbonylamino]ethanoic acid hydrate

Systemtic Name: sodium 2-[(4-acetamidophenyl)carbonylamino]ethanoic acid hydrate Openeye Name: sodium 2-[(4-acetamidobenzoyl)amino]acetic acid hydrate CAS Name: sodium 2-[[(4-acetamidophenyl)-oxomethyl]amino]acetic acid hydrate IUPAC Name: sodium 2-[(4-acetamidobenzoyl)amino]acetic acid hydrate Traditional Name: sodium 2-[(4-acetamidobenzoyl)amino]acetic acid hydrate Formula: C11H14N2NaO5+ MolecularWeight: 277.22903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4.Na.H2O/c1-7(14)13-9-4-2-8(3-5-9)11(17)12-6-10(15)16;;/h2-5H,6H2,1H3,(H,12,17)(H,13,14)(H,15,16);;1H2/q;+1;