(4-propan-2-ylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-propan-2-ylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-isopropylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid p-cumenyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-10(2)12-4-6-14(7-5-12)25-17(20)13-8-15(18(21)22)11(3)16(9-13)19(23)24/h4-10H,1-3H3