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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-11(2)13-5-3-12(4-6-13)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-9,11H,10H2,1-2H3