2-azanyl-3-(quinoxalin-6-ylcarbonylcarbamoyl)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(quinoxalin-6-ylcarbonylcarbamoyl)-5-(trifluoromethyl)benzoic acid Openeye Name: 2-amino-3-(quinoxaline-6-carbonylcarbamoyl)-5-(trifluoromethyl)benzoic acid CAS Name: 2-amino-3-[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-amino-3-(quinoxaline-6-carbonylcarbamoyl)-5-(trifluoromethyl)benzoic acid Traditional Name: 2-amino-3-(quinoxaline-6-carbonylcarbamoyl)-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)C3=CC(=CC(=C3N)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1C(=O)NC(=O)C3=CC(=CC(=C3N)C(=O)O)C(F)(F)F

InChI

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