4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198)

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ChEBI Name	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

ChEBI ID	CHEBI:41198

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C12H11N3O5

Net Charge

Average Mass

277.23280

Monoisotopic Mass

277.06987

InChI

InChI=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)

InChIKey

LQQYZJRCWBRIMW-UHFFFAOYSA-N

SMILES

OC(=O)CCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) has functional parent butyric acid (CHEBI:30772) 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a 1,2,4-oxadiazole (CHEBI:46809) 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a C-nitro compound (CHEBI:35716) 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Synonyms	Sources
3-(3-nitrophenyl)-1,2,4-oxadiazole-5-butanoic acid	ChEBI
4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID	PDBeChem

Last Modified

28 January 2013