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

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

Systemtic Name:2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]ethanoic acid
Openeye Name:2-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)acetic acid
CAS Name:2-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)acetic acid
IUPAC Name:2-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)acetic acid
Traditional Name:2-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)acetic acid
Formula: C15H11F3N4O6
MolecularWeight: 400.26625
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Descriptors Computed from Structure

Canonical SMILES:

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


InChI

InChI=1S/C15H11F3N4O6/c16-15(17,18)9-6-11(21(25)26)14(12(7-9)22(27)28)19-20(8-13(23)24)10-4-2-1-3-5-10/h1-7,19H,8H2,(H,23,24)


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