[2,6-dinitro-4-(trifluoromethyl)phenyl] 3-methylbenzoate

Systemtic Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 3-methylbenzoate Openeye Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2,6-dinitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2,6-dinitro-4-(trifluoromethyl)phenyl] ester Formula: C15H9F3N2O6 MolecularWeight: 370.23697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3N2O6/c1-8-3-2-4-9(5-8)14(21)26-13-11(19(22)23)6-10(15(16,17)18)7-12(13)20(24)25/h2-7H,1H3