2-(4-methyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-methyl-2-nitrophenoxy)-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-17-7-8-20(19(15-17)24(26)27)29-16-21(25)23-11-9-22(10-12-23)13-14-28-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3