2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(isopropylcarbamoylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(isopropylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Formula: C12H13F3N2O3 MolecularWeight: 290.23843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H13F3N2O3/c1-6(2)16-11(20)17-9-4-3-7(12(13,14)15)5-8(9)10(18)19/h3-6H,1-2H3,(H,18,19)(H2,16,17,20)