4-(4-nitrophenyl)-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]imino-butanoic acid

Systemtic Name: 4-(4-nitrophenyl)-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]imino-butanoic acid Openeye Name: 4-(4-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-butanoic acid CAS Name: 4-(4-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]iminobutanoic acid IUPAC Name: 4-(4-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]iminobutanoic acid Traditional Name: 4-keto-4-(4-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]imino-butyric acid Formula: C17H11F3N2O5 MolecularWeight: 380.27485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N2O5/c18-17(19,20)11-2-1-3-12(8-11)21-14(16(24)25)9-15(23)10-4-6-13(7-5-10)22(26)27/h1-8H,9H2,(H,24,25)