5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole

Systemtic Name: 5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole Openeye Name: 5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole CAS Name: 5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole IUPAC Name: 5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole Traditional Name: 5-[4-(1-adamantyl)phenoxy]-1-methyl-3-nitro-1,2,4-triazole Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H22N4O3/c1-22-18(20-17(21-22)23(24)25)26-16-4-2-15(3-5-16)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3