(4-propan-2-ylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-propan-2-ylphenyl) 3,5-dinitrobenzoate Openeye Name: (4-isopropylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid p-cumenyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-10(2)11-3-5-15(6-4-11)24-16(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h3-10H,1-2H3