sodium 2-[2-azanyl-3-(phenylcarbonyl)phenyl]ethanoate hydrate

Systemtic Name: sodium 2-[2-azanyl-3-(phenylcarbonyl)phenyl]ethanoate hydrate Openeye Name: sodium 2-(2-amino-3-benzoyl-phenyl)acetate hydrate CAS Name: sodium 2-(2-amino-3-benzoylphenyl)acetate hydrate IUPAC Name: sodium 2-(2-amino-3-benzoylphenyl)acetate hydrate Traditional Name: sodium 2-(2-amino-3-benzoyl-phenyl)acetate hydrate Formula: C15H14NNaO4 MolecularWeight: 295.26573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)[O-])N.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)[O-])N.O.[Na+]

InChI

InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1