2-(azepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone CAS Name: 2-(1-azepanyl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c16-12(9-14-5-3-1-2-4-6-14)11-7-10(8-13-11)15(17)18/h7-8,13H,1-6,9H2