[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(2-chloro-4-nitro-phenyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C19H20ClN3O5 MolecularWeight: 405.8322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H20ClN3O5/c1-27-17-6-3-13(11-18(17)28-2)19(24)22-9-7-21(8-10-22)16-5-4-14(23(25)26)12-15(16)20/h3-6,11-12H,7-10H2,1-2H3