1-[4-(4-nitro-2,5-dipentoxy-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(4-nitro-2,5-dipentoxy-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitro-2,5-dipentoxy-phenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-nitro-2,5-dipentoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4-nitro-2,5-dipentoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2,5-diamoxy-4-nitro-phenyl)piperazino]ethanone Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1N2CCN(CC2)C(=O)C)OCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1N2CCN(CC2)C(=O)C)OCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C22H35N3O5/c1-4-6-8-14-29-21-17-20(25(27)28)22(30-15-9-7-5-2)16-19(21)24-12-10-23(11-13-24)18(3)26/h16-17H,4-15H2,1-3H3