3-(quinoxalin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(quinoxalin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 3-[[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(quinoxaline-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Formula: C18H11F3N4O4 MolecularWeight: 404.29955

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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

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H11F3N4O4/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)