1-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-(4-oxidanylphenoxy)propan-1-one

Systemtic Name: 1-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-(4-oxidanylphenoxy)propan-1-one Openeye Name: 3-(4-hydroxyphenoxy)-1-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-hydroxyphenoxy)-1-[4-[3-(2-methyl-4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-hydroxyphenoxy)-1-[4-[3-(2-methyl-4-nitrophenoxy)propanoyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-hydroxyphenoxy)-1-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazino]propan-1-one Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)O

InChI

InChI=1S/C23H27N3O7/c1-17-16-18(26(30)31)2-7-21(17)33-15-9-23(29)25-12-10-24(11-13-25)22(28)8-14-32-20-5-3-19(27)4-6-20/h2-7,16,27H,8-15H2,1H3