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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H22F3N3O5 MolecularWeight: 453.41169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O5/c1-3-32-18-7-4-14(12-19(18)31-2)20(28)26-10-8-25(9-11-26)16-6-5-15(21(22,23)24)13-17(16)27(29)30/h4-7,12-13H,3,8-11H2,1-2H3