2-(3-bromanylphenoxy)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]ethanamide Openeye Name: 2-(3-bromophenoxy)-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]acetamide CAS Name: 2-(3-bromophenoxy)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide IUPAC Name: 2-(3-bromophenoxy)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide Traditional Name: 2-(3-bromophenoxy)-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]acetamide Formula: C13H13BrN6O4 MolecularWeight: 397.18412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)COC1=CC(=CC=C1)Br)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)COC1=CC(=CC=C1)Br)/CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN6O4/c1-9(6-19-8-15-13(18-19)20(22)23)16-17-12(21)7-24-11-4-2-3-10(14)5-11/h2-5,8H,6-7H2,1H3,(H,17,21)/b16-9+