sodium 3-[3-fluoranyl-4-[(2-hydroxyphenyl)carbonylamino]phenyl]propanoate

Systemtic Name: sodium 3-[3-fluoranyl-4-[(2-hydroxyphenyl)carbonylamino]phenyl]propanoate Openeye Name: sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate CAS Name: sodium 3-[3-fluoro-4-[[(2-hydroxyphenyl)-oxomethyl]amino]phenyl]propanoate IUPAC Name: sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate Traditional Name: sodium 3-[3-fluoro-4-(salicyloylamino)phenyl]propionate Formula: C16H13FNNaO4 MolecularWeight: 325.266893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)CCC(=O)[O-])F)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)CCC(=O)[O-])F)O.[Na+]

InChI

InChI=1S/C16H14FNO4.Na/c17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;/h1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);/q;+1/p-1