sodium 2-[3-chloranyl-4-(2,3-dihydropyrrol-1-yl)phenyl]propanoate

Systemtic Name: sodium 2-[3-chloranyl-4-(2,3-dihydropyrrol-1-yl)phenyl]propanoate Openeye Name: sodium 2-[3-chloro-4-(2,3-dihydropyrrol-1-yl)phenyl]propanoate CAS Name: sodium 2-[3-chloro-4-(2,3-dihydropyrrol-1-yl)phenyl]propanoate IUPAC Name: sodium 2-[3-chloro-4-(2,3-dihydropyrrol-1-yl)phenyl]propanoate Traditional Name: sodium 2-[3-chloro-4-(2-pyrrolin-1-yl)phenyl]propionate Formula: C13H13ClNNaO2 MolecularWeight: 273.69059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CCC=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CCC=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14ClNO2.Na/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15;/h2,4-6,8-9H,3,7H2,1H3,(H,16,17);/q;+1/p-1