2-[[7-chloranyl-3-(4-ethoxy-2-fluoranyl-phenyl)-1,2-benzoxazol-6-yl]oxy]butanoate

Systemtic Name: 2-[[7-chloranyl-3-(4-ethoxy-2-fluoranyl-phenyl)-1,2-benzoxazol-6-yl]oxy]butanoate Openeye Name: 2-[[7-chloro-3-(4-ethoxy-2-fluoro-phenyl)-1,2-benzoxazol-6-yl]oxy]butanoate CAS Name: 2-[[7-chloro-3-(4-ethoxy-2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]butanoate IUPAC Name: 2-[[7-chloro-3-(4-ethoxy-2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]butanoate Traditional Name: 2-[7-chloro-3-(4-ethoxy-2-fluoro-phenyl)indoxazen-6-yl]oxybutyrate Formula: C19H16ClFNO5- MolecularWeight: 392.785443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C2=C(C=C1)C(=NO2)C3=C(C=C(C=C3)OCC)F)Cl

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C2=C(C=C1)C(=NO2)C3=C(C=C(C=C3)OCC)F)Cl

InChI

InChI=1S/C19H17ClFNO5/c1-3-14(19(23)24)26-15-8-7-12-17(22-27-18(12)16(15)20)11-6-5-10(25-4-2)9-13(11)21/h5-9,14H,3-4H2,1-2H3,(H,23,24)/p-1