1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-(4-nitro-1-imidazolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one Traditional Name: 3-(4-nitroimidazol-1-yl)-1-(4-piperonyloylpiperazino)propan-1-one Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C=C(N=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=C(N=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N5O6/c24-17(3-4-20-10-16(19-11-20)23(26)27)21-5-7-22(8-6-21)18(25)13-1-2-14-15(9-13)29-12-28-14/h1-2,9-11H,3-8,12H2