[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-nitrophenyl)propan-2-yl]phenyl]carbamic acid

Systemtic Name: [4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-nitrophenyl)propan-2-yl]phenyl]carbamic acid Openeye Name: [4-[2,2,2-trifluoro-1-(3-nitrophenyl)-1-(trifluoromethyl)ethyl]phenyl]carbamic acid CAS Name: [4-[1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-yl]phenyl]carbamic acid IUPAC Name: [4-[1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-yl]phenyl]carbamic acid Traditional Name: [4-[2,2,2-trifluoro-1-(3-nitrophenyl)-1-(trifluoromethyl)ethyl]phenyl]carbamic acid Formula: C16H10F6N2O4 MolecularWeight: 408.252019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)NC(=O)O)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)NC(=O)O)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H10F6N2O4/c17-15(18,19)14(16(20,21)22,10-2-1-3-12(8-10)24(27)28)9-4-6-11(7-5-9)23-13(25)26/h1-8,23H,(H,25,26)