4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]benzoic acid CAS Name: 4-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]benzoic acid Formula: C20H19ClFN3O6 MolecularWeight: 451.832763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C20H19ClFN3O6/c1-20(2,3)31-19(30)24-15-9-11(5-7-13(15)17(27)28)23-18(29)25-16(26)12-6-4-10(22)8-14(12)21/h4-9H,1-3H3,(H,24,30)(H,27,28)(H2,23,25,26,29)