2-[4-(1-adamantyloxycarbonyloxy)-2,3-bis(fluoranyl)-5-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-(1-adamantyloxycarbonyloxy)-2,3-bis(fluoranyl)-5-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-(1-adamantyloxycarbonyloxy)-2,3-difluoro-5-nitro-phenyl]acetic acid CAS Name: 2-[4-[1-adamantyloxy(oxo)methoxy]-2,3-difluoro-5-nitrophenyl]acetic acid IUPAC Name: 2-[4-(1-adamantyloxycarbonyloxy)-2,3-difluoro-5-nitrophenyl]acetic acid Traditional Name: 2-[4-(1-adamantyloxycarbonyloxy)-2,3-difluoro-5-nitro-phenyl]acetic acid Formula: C19H19F2NO7 MolecularWeight: 411.353466

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)OC4=C(C=C(C(=C4F)F)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)OC4=C(C=C(C(=C4F)F)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19F2NO7/c20-15-12(5-14(23)24)4-13(22(26)27)17(16(15)21)28-18(25)29-19-6-9-1-10(7-19)3-11(2-9)8-19/h4,9-11H,1-3,5-8H2,(H,23,24)