(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H26ClN3O5/c1-3-13-31-21-19(23)14-16(15-20(21)30-4-2)22(27)25-11-9-24(10-12-25)17-5-7-18(8-6-17)26(28)29/h5-8,14-15H,3-4,9-13H2,1-2H3