1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanone Openeye Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanone CAS Name: 1-[2-(methyldioxymethyl)-1-pyrrolidinyl]-2-(4-nitro-1-imidazolyl)-2-phenylethanone IUPAC Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-2-phenylethanone Traditional Name: 1-[2-(methylperoxymethyl)pyrrolidino]-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanone Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COOCC1CCCN1C(=O)C(C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COOCC1CCCN1C(=O)C(C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-25-26-11-14-8-5-9-20(14)17(22)16(13-6-3-2-4-7-13)19-10-15(18-12-19)21(23)24/h2-4,6-7,10,12,14,16H,5,8-9,11H2,1H3