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3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanoic acid

3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanoic acid

Systemtic Name:3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanoic acid
Openeye Name:3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoic acid
CAS Name:3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoic acid
IUPAC Name:3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoic acid
Traditional Name:3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propionic acid
Formula: C16H13F3N4O6
MolecularWeight: 414.29283
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)O)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)O)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C16H13F3N4O6/c17-16(18,19)10-8-12(22(26)27)15(13(9-10)23(28)29)20-21(7-6-14(24)25)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,24,25)


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