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

Systemtic Name: 2-[4-(1-adamantyloxycarbonyloxy)-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-(1-adamantyloxycarbonyloxy)-3-fluoro-2-(2-methylanilino)-5-nitro-phenyl]acetic acid CAS Name: 2-[4-[1-adamantyloxy(oxo)methoxy]-3-fluoro-2-(2-methylanilino)-5-nitrophenyl]acetic acid IUPAC Name: 2-[4-(1-adamantyloxycarbonyloxy)-3-fluoro-2-(2-methylanilino)-5-nitrophenyl]acetic acid Traditional Name: 2-[4-(1-adamantyloxycarbonyloxy)-3-fluoro-5-nitro-2-(o-toluidino)phenyl]acetic acid Formula: C26H27FN2O7 MolecularWeight: 498.500183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(C=C2CC(=O)O)[N+](=O)[O-])OC(=O)OC34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(C=C2CC(=O)O)[N+](=O)[O-])OC(=O)OC34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H27FN2O7/c1-14-4-2-3-5-19(14)28-23-18(10-21(30)31)9-20(29(33)34)24(22(23)27)35-25(32)36-26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9,15-17,28H,6-8,10-13H2,1H3,(H,30,31)