1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-3-nitro-phenyl]ethanone Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-15(25)17-3-4-18(19(13-17)24(26)27)23-8-6-22(7-9-23)14-16-2-5-20-21(12-16)29-11-10-28-20/h2-5,12-13H,6-11,14H2,1H3