1-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-3-(2-oxidanylphenoxy)propan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-3-(2-oxidanylphenoxy)propan-1-one Openeye Name: 3-(2-hydroxyphenoxy)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2-hydroxyphenoxy)-1-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-hydroxyphenoxy)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2-hydroxyphenoxy)-1-[4-(4-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=CC=C2O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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