(4-propylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-propylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-propylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-propylphenyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-3-4-12-5-7-14(8-6-12)25-17(20)13-9-15(18(21)22)11(2)16(10-13)19(23)24/h5-10H,3-4H2,1-2H3