2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]propan-1-one Formula: C20H21Cl2N3O4 MolecularWeight: 438.30444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2N3O4/c1-13-11-15(21)4-6-19(13)29-14(2)20(26)24-9-7-23(8-10-24)17-5-3-16(22)12-18(17)25(27)28/h3-6,11-12,14H,7-10H2,1-2H3