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

Systemtic Name: 3-(4-methyl-2-nitro-phenoxy)-1-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]-3-(4-methyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-[4-[3-(3-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-3-(4-methyl-2-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]-3-(4-methyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazino]-3-(4-methyl-2-nitro-phenoxy)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=CC(=C3)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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