methyl 2-nitro-4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate

Systemtic Name: methyl 2-nitro-4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate Openeye Name: methyl 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate CAS Name: 4-hydroxy-2-nitro-5-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O6/c1-28-14(24)10-6-11(13(23)7-12(10)22(26)27)21-15(25)20-9-4-2-3-8(5-9)16(17,18)19/h2-7,23H,1H3,(H2,20,21,25)