N-(2-methyl-5-nitro-phenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C21H22F3N5O5 MolecularWeight: 481.42509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N5O5/c1-14-2-4-16(28(31)32)13-17(14)25-20(30)6-7-26-8-10-27(11-9-26)18-5-3-15(21(22,23)24)12-19(18)29(33)34/h2-5,12-13H,6-11H2,1H3,(H,25,30)