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

Systemtic Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-4-phenyl-butan-1-one Openeye Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-4-phenyl-butan-1-one CAS Name: 1-[2-(methyldioxymethyl)-1-pyrrolidinyl]-2-(4-nitro-1-imidazolyl)-4-phenyl-1-butanone IUPAC Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-4-phenylbutan-1-one Traditional Name: 1-[2-(methylperoxymethyl)pyrrolidino]-2-(4-nitroimidazol-1-yl)-4-phenyl-butan-1-one Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

COOCC1CCCN1C(=O)C(CCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COOCC1CCCN1C(=O)C(CCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-27-28-13-16-8-5-11-22(16)19(24)17(10-9-15-6-3-2-4-7-15)21-12-18(20-14-21)23(25)26/h2-4,6-7,12,14,16-17H,5,8-11,13H2,1H3