[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C26H27FN2O6 MolecularWeight: 482.500783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])F

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])F

InChI

InChI=1S/C26H27FN2O6/c1-34-20-5-2-18(3-6-20)25-10-16-8-17(11-25)13-26(12-16,15-25)24(31)35-14-23(30)28-22-9-19(29(32)33)4-7-21(22)27/h2-7,9,16-17H,8,10-15H2,1H3,(H,28,30)