(5-methyl-2-propan-2-yl-phenyl) 2,4-dinitrobenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2,4-dinitrobenzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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