[3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate

Systemtic Name: [3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate Openeye Name: [3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate CAS Name: nitric acid [3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl] ester IUPAC Name: [3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl] nitrate Traditional Name: nitric acid [3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] ester Formula: C17H19N3O7 MolecularWeight: 377.34866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)(C3)O[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)(C3)O[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7/c1-10-14(18(21)22)3-13(4-15(10)19(23)24)16-5-11-2-12(6-16)8-17(7-11,9-16)27-20(25)26/h3-4,11-12H,2,5-9H2,1H3