2-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid

Systemtic Name: 2-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid Openeye Name: 2-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid CAS Name: 2-(4-nitrophenyl)-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]propanoic acid IUPAC Name: 2-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid Traditional Name: 2-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propionic acid Formula: C17H14F3N3O5 MolecularWeight: 397.30537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O5/c1-16(14(24)25,10-5-7-13(8-6-10)23(27)28)22-15(26)21-12-4-2-3-11(9-12)17(18,19)20/h2-9H,1H3,(H,24,25)(H2,21,22,26)