2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-5-bromanyl-benzoic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-5-bromo-benzoic acid CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-5-bromobenzoic acid Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-5-bromo-benzoic acid Formula: C16H9BrF6N2O3 MolecularWeight: 471.148679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H9BrF6N2O3/c17-9-1-2-12(11(6-9)13(26)27)25-14(28)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H,26,27)(H2,24,25,28)