2-[5-(4-bromanylphenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[5-(4-bromanylphenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[5-(4-bromophenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-morpholino-ethanone CAS Name: 2-[5-(4-bromophenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[5-(4-bromophenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[5-(4-bromophenoxy)-3-nitro-1,2,4-triazol-1-yl]-1-morpholino-ethanone Formula: C14H14BrN5O5 MolecularWeight: 412.19546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H14BrN5O5/c15-10-1-3-11(4-2-10)25-14-16-13(20(22)23)17-19(14)9-12(21)18-5-7-24-8-6-18/h1-4H,5-9H2