ethanedioic acid; N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-phenyl-propanamide

Systemtic Name: ethanedioic acid; N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-phenyl-propanamide Openeye Name: N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-phenyl-propanamide; oxalic acid CAS Name: N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-N-phenylpropanamide; oxalic acid IUPAC Name: N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-phenylpropanamide; oxalic acid Traditional Name: N-methyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-N-phenyl-propionamide; oxalic acid Formula: C25H27F3N4O11 MolecularWeight: 616.49729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23F3N4O3.2C2H2O4/c1-15(20(29)25(2)17-6-4-3-5-7-17)26-10-12-27(13-11-26)18-9-8-16(21(22,23)24)14-19(18)28(30)31;2*3-1(4)2(5)6/h3-9,14-15H,10-13H2,1-2H3;2*(H,3,4)(H,5,6)