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Summary

Name:3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Formula:C13 H12 Cl N O5
Formal charge:0
Molecular weight:297.691 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyInChI1.03AYXQPTCYJAJHBG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
SMILESCACTVS3.385OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O
SMILESOpenEye OEToolkits2.0.6c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O