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

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C25H25FN2O5 MolecularWeight: 452.474803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F)C5=CC=CC=C5

InChI

InChI=1S/C25H25FN2O5/c26-20-7-6-19(28(31)32)9-21(20)27-22(29)14-33-23(30)25-12-16-8-17(13-25)11-24(10-16,15-25)18-4-2-1-3-5-18/h1-7,9,16-17H,8,10-15H2,(H,27,29)