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

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-4-ethoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-ethoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H19ClF3N3O4 MolecularWeight: 457.83077

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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-])Cl

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-])Cl

InChI

InChI=1S/C20H19ClF3N3O4/c1-2-31-18-6-3-13(11-15(18)21)19(28)26-9-7-25(8-10-26)16-5-4-14(20(22,23)24)12-17(16)27(29)30/h3-6,11-12H,2,7-10H2,1H3