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BTO

Summary
Name:4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
Formula:C12 H11 N3 O5
Formal charge:0
Formula weight:277.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
OpenEye OEToolkits1.5.04-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-])=O
SMILESCACTVS3.341OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O
InChIInChI1.03InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)
InChIKeyInChI1.03LQQYZJRCWBRIMW-UHFFFAOYSA-N

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PDB entries from 2024-05-01

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