2-[3-(2,4-dinitrophenyl)-1-adamantyl]ethanoate

Systemtic Name: 2-[3-(2,4-dinitrophenyl)-1-adamantyl]ethanoate Openeye Name: 2-[3-(2,4-dinitrophenyl)-1-adamantyl]acetate CAS Name: 2-[3-(2,4-dinitrophenyl)-1-adamantyl]acetate IUPAC Name: 2-[3-(2,4-dinitrophenyl)-1-adamantyl]acetate Traditional Name: 2-[3-(2,4-dinitrophenyl)-1-adamantyl]acetate Formula: C18H19N2O6- MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c21-16(22)9-17-5-11-3-12(6-17)8-18(7-11,10-17)14-2-1-13(19(23)24)4-15(14)20(25)26/h1-2,4,11-12H,3,5-10H2,(H,21,22)/p-1