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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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