[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-chloro-4-nitro-phenyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6/c1-28-17-10-13(11-18(29-2)19(17)30-3)20(25)23-8-6-22(7-9-23)16-5-4-14(24(26)27)12-15(16)21/h4-5,10-12H,6-9H2,1-3H3