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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-27-15-3-4-16(17(13-15)23(25)26)21-6-8-22(9-7-21)20(24)14-2-5-18-19(12-14)29-11-10-28-18/h2-5,12-13H,6-11H2,1H3