methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C12H7F3N4O5S MolecularWeight: 376.26799

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H7F3N4O5S/c1-24-9(21)6-2-5(3-7(4-6)19(22)23)8(20)16-11-18-17-10(25-11)12(13,14)15/h2-4H,1H3,(H,16,18,20)