[3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-morpholin-4-yl-methanone

Systemtic Name: [3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-morpholin-4-yl-methanone Openeye Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-morpholino-methanone CAS Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-morpholinyl)methanone IUPAC Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-morpholin-4-ylmethanone Traditional Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-morpholino-methanone Formula: C17H22BrN5O4 MolecularWeight: 440.29168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C23CC4CC(C2)CC(C4)(C3)N5C(=NC(=N5)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1C(=O)C23CC4CC(C2)CC(C4)(C3)N5C(=NC(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C17H22BrN5O4/c18-14-19-15(23(25)26)20-22(14)17-8-11-5-12(9-17)7-16(6-11,10-17)13(24)21-1-3-27-4-2-21/h11-12H,1-10H2