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ChEBI
> Main
CHEBI:112912 - N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
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ChEBI Ontology
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ChEBI Name
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
ChEBI ID
CHEBI:112912
Stars
This entity has been manually annotated by a third party.
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Formula
C14H12N4O6
Net Charge
0
Average Mass
332.269
Monoisotopic Mass
332.07568
InChI
InChI=1S/C14H12N4O6/c19-
16(20)
11-
8-
13(17(21)
22)
12(14(9-
11)
18(23)
24)
6-
7-
15-
10-
4-
2-
1-
3-
5-
10/h1-
5,8-
9,15H,6-
7H2
InChIKey
WPDUWQVPOYWUIS-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
ChEBI Ontology
Outgoing
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline (
CHEBI:112912
)
is a
C
-nitro compound (
CHEBI:35716
)
Manual Xref
Database
LSM-24322
LINCS
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