methyl 4-(quinoxalin-6-ylcarbonylcarbamoylamino)-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-(quinoxalin-6-ylcarbonylcarbamoylamino)-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-(quinoxaline-6-carbonylcarbamoylamino)-3-(trifluoromethyl)benzoate CAS Name: 4-[[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]amino]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(quinoxaline-6-carbonylcarbamoylamino)-3-(trifluoromethyl)benzoate Traditional Name: 4-(quinoxaline-6-carbonylcarbamoylamino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C19H13F3N4O4 MolecularWeight: 418.32613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2)C(F)(F)F

InChI

InChI=1S/C19H13F3N4O4/c1-30-17(28)11-3-4-13(12(8-11)19(20,21)22)25-18(29)26-16(27)10-2-5-14-15(9-10)24-7-6-23-14/h2-9H,1H3,(H2,25,26,27,29)