5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester (CHEBI:120039)

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ChEBI Name	5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester

ChEBI ID	CHEBI:120039

Stars	This entity has been manually annotated by a third party.

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Formula

C15H14N2O5S

Net Charge

Average Mass

334.349

Monoisotopic Mass

334.06234

InChI

InChI=1S/C15H14N2O5S/c1-10(11-5-3-2-4-6-11)16-13(18)9-22-15(19)12-7-8-14(23-12)17(20)21/h2-8,10H,9H2,1H3,(H,16,18)

InChIKey

NHJYQKGRAJXZSA-UHFFFAOYSA-N

SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

ChEBI Ontology
Outgoing	5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester (CHEBI:120039) is a C-nitro compound (CHEBI:35716) 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester (CHEBI:120039) is a thiophenes (CHEBI:26961)