[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-(5-nitro-2-phenoxyphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-(5-nitro-2-phenoxy-phenyl)methanone Formula: C26H25N3O6 MolecularWeight: 475.4932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])OC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O6/c30-26(22-17-20(29(31)32)7-9-23(22)35-21-4-2-1-3-5-21)28-12-10-27(11-13-28)18-19-6-8-24-25(16-19)34-15-14-33-24/h1-9,16-17H,10-15,18H2