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

Systemtic Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-phenyl-propanoic acid CAS Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-phenylpropanoic acid IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-phenylpropanoic acid Traditional Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-phenyl-propionic acid Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H12F3N3O6/c17-16(18,19)10-6-12(21(25)26)15(13(7-10)22(27)28)20-11(8-14(23)24)9-4-2-1-3-5-9/h1-7,11,20H,8H2,(H,23,24)