1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-3-phenyl-propan-1-one

Systemtic Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-3-phenyl-propan-1-one Openeye Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-3-phenyl-propan-1-one CAS Name: 1-[2-(methyldioxymethyl)-1-pyrrolidinyl]-2-(4-nitro-1-imidazolyl)-3-phenyl-1-propanone IUPAC Name: 1-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)-3-phenylpropan-1-one Traditional Name: 1-[2-(methylperoxymethyl)pyrrolidino]-2-(4-nitroimidazol-1-yl)-3-phenyl-propan-1-one Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

COOCC1CCCN1C(=O)C(CC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COOCC1CCCN1C(=O)C(CC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-26-27-12-15-8-5-9-21(15)18(23)16(10-14-6-3-2-4-7-14)20-11-17(19-13-20)22(24)25/h2-4,6-7,11,13,15-16H,5,8-10,12H2,1H3