sodium 3-(quinoxalin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoate

Systemtic Name: sodium 3-(quinoxalin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoate Openeye Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoate CAS Name: sodium 3-[[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]amino]-5-(trifluoromethyl)benzoate IUPAC Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoate Traditional Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoate Formula: C18H10F3N4NaO4 MolecularWeight: 426.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CN=C2C=C1C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H11F3N4O4.Na/c19-18(20,21)11-5-10(16(27)28)6-12(8-11)24-17(29)25-15(26)9-1-2-13-14(7-9)23-4-3-22-13;/h1-8H,(H,27,28)(H2,24,25,26,29);/q;+1/p-1