1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-2-4-16-13-19(25(27)28)7-8-20(16)29-15-21(26)24-11-9-23(10-12-24)18-6-3-5-17(22)14-18/h2-3,5-8,13-14H,1,4,9-12,15H2