sodium 4-nitro-2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: sodium 4-nitro-2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: sodium 4-nitro-2-[3-(trifluoromethyl)anilino]benzoate CAS Name: sodium 4-nitro-2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: sodium 4-nitro-2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: sodium 4-nitro-2-[3-(trifluoromethyl)anilino]benzoate Formula: C14H8F3N2NaO4 MolecularWeight: 348.2093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F3N2O4.Na/c15-14(16,17)8-2-1-3-9(6-8)18-12-7-10(19(22)23)4-5-11(12)13(20)21;/h1-7,18H,(H,20,21);/q;+1/p-1