[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C17H19NO6 MolecularWeight: 333.33586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO6/c19-14(9-23-16(20)13-1-2-15(24-13)18(21)22)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2