[4-(3-chlorophenyl)piperazin-1-yl]-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]methanone Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H24ClN3O6/c1-29-10-11-31-20-14-18(25(27)28)17(13-19(20)30-2)21(26)24-8-6-23(7-9-24)16-5-3-4-15(22)12-16/h3-5,12-14H,6-11H2,1-2H3