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

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H22ClN3O5/c1-3-29-19-13-17(24(26)27)16(12-18(19)28-2)20(25)23-9-7-22(8-10-23)15-6-4-5-14(21)11-15/h4-6,11-13H,3,7-10H2,1-2H3