1-(azepan-1-yl)-2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C10H14BrN5O3 MolecularWeight: 332.15386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C10H14BrN5O3/c11-9-12-10(16(18)19)13-15(9)7-8(17)14-5-3-1-2-4-6-14/h1-7H2