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

Systemtic Name: 1-(azepan-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C10H15N5O3 MolecularWeight: 253.2578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O3/c16-9(13-5-3-1-2-4-6-13)7-14-8-11-10(12-14)15(17)18/h8H,1-7H2