[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(m-tolyl)methanone CAS Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(3-methylphenyl)methanone IUPAC Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-(m-tolyl)methanone Formula: C19H17F3N4O5 MolecularWeight: 438.35729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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