1-(3-chloranyl-2-methyl-4,6-dinitro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(3-chloranyl-2-methyl-4,6-dinitro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(3-chloro-2-methyl-4,6-dinitro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(3-chloro-2-methyl-4,6-dinitrophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(3-chloro-2-methyl-4,6-dinitrophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3-chloro-2-methyl-4,6-dinitro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H15ClF3N5O6 MolecularWeight: 489.78981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3N5O6/c1-10-16(19)14(26(30)31)9-15(27(32)33)17(10)24-6-4-23(5-7-24)12-3-2-11(18(20,21)22)8-13(12)25(28)29/h2-3,8-9H,4-7H2,1H3