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

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C19H17F3N4O5 MolecularWeight: 438.35729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O5/c1-12-14(3-2-4-15(12)25(28)29)18(27)24-9-7-23(8-10-24)16-6-5-13(19(20,21)22)11-17(16)26(30)31/h2-6,11H,7-10H2,1H3