(4-tert-butylphenyl)methyl 4-methyl-3,5-dinitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-12-16(20(23)24)9-14(10-17(12)21(25)26)18(22)27-11-13-5-7-15(8-6-13)19(2,3)4/h5-10H,11H2,1-4H3