1-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-3-(4-oxidanylphenoxy)propan-1-one

Systemtic Name: 1-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-3-(4-oxidanylphenoxy)propan-1-one Openeye Name: 3-(4-hydroxyphenoxy)-1-[4-(3-nitrobenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-hydroxyphenoxy)-1-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-hydroxyphenoxy)-1-[4-(3-nitrobenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-hydroxyphenoxy)-1-[4-(3-nitrobenzoyl)piperazino]propan-1-one Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-17-4-6-18(7-5-17)29-13-8-19(25)21-9-11-22(12-10-21)20(26)15-2-1-3-16(14-15)23(27)28/h1-7,14,24H,8-13H2