(2-tert-butyl-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-11-6-7-17(14(8-11)19(3,4)5)27-18(22)13-9-15(20(23)24)12(2)16(10-13)21(25)26/h6-10H,1-5H3