[4-(2-nitrophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-nitrophenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-27-17-12-14(13-18(28-2)19(17)29-3)20(24)22-10-8-21(9-11-22)15-6-4-5-7-16(15)23(25)26/h4-7,12-13H,8-11H2,1-3H3