N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide (CHEBI:93016)

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ChEBI Name	N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide

ChEBI ID	CHEBI:93016

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

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Formulae

C13H13ClF3N3O4
C13H13ClF3N3O4

Net Charge

Average Mass

367.710

Monoisotopic Mass

367.05467

InChI

InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)

InChIKey

RPFLJHUKWQKWPO-UHFFFAOYSA-N

SMILES

C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]

ChEBI Ontology
Outgoing	N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide (CHEBI:93016) is a C-nitro compound (CHEBI:35716) N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide (CHEBI:93016) is a secondary carboxamide (CHEBI:140325) N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide (CHEBI:93016) is a tertiary carboxamide (CHEBI:140326) N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide (CHEBI:93016) is a trifluoroacetamide (CHEBI:145723)

Last Modified

20 December 2019