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

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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 0
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)
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Last Modified
20 December 2019