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

Systemtic Name: 3-(4-methyl-2-nitro-phenoxy)-1-[4-[2-(2-oxidanylphenoxy)ethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-(2-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(4-methyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-[4-[2-(2-hydroxyphenoxy)-1-oxoethyl]-1-piperazinyl]-3-(4-methyl-2-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-[2-(2-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(4-methyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-[4-[2-(2-hydroxyphenoxy)acetyl]piperazino]-3-(4-methyl-2-nitro-phenoxy)propan-1-one Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-16-6-7-19(17(14-16)25(29)30)31-13-8-21(27)23-9-11-24(12-10-23)22(28)15-32-20-5-3-2-4-18(20)26/h2-7,14,26H,8-13,15H2,1H3