1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C22H25N3O5/c1-3-4-17-15-19(25(27)28)7-10-21(17)30-16-22(26)24-13-11-23(12-14-24)18-5-8-20(29-2)9-6-18/h3,5-10,15H,1,4,11-14,16H2,2H3