2-(2-methoxy-4-prop-2-enyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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