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methyl 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanoate

methyl 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name:methyl 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanoate
Openeye Name:methyl 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propanoate
CAS Name:3-[2,6-dinitro-4-(trifluoromethyl)anilino]propanoic acid methyl ester
IUPAC Name:methyl 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propanoate
Traditional Name:3-[2,6-dinitro-4-(trifluoromethyl)anilino]propionic acid methyl ester
Formula: C11H10F3N3O6
MolecularWeight: 337.20881
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C11H10F3N3O6/c1-23-9(18)2-3-15-10-7(16(19)20)4-6(11(12,13)14)5-8(10)17(21)22/h4-5,15H,2-3H2,1H3


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