(4-ethoxy-3-nitro-phenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-(4-o-phenetylpiperazino)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-3-28-19-8-6-5-7-17(19)22-11-13-23(14-12-22)21(25)16-9-10-20(29-4-2)18(15-16)24(26)27/h5-10,15H,3-4,11-14H2,1-2H3