(2-methyl-4-phenyl-pentyl) 3,5-dinitrobenzoate

Systemtic Name: (2-methyl-4-phenyl-pentyl) 3,5-dinitrobenzoate Openeye Name: (2-methyl-4-phenyl-pentyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-methyl-4-phenylpentyl) ester IUPAC Name: (2-methyl-4-phenylpentyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-methyl-4-phenyl-pentyl) ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-13(8-14(2)15-6-4-3-5-7-15)12-27-19(22)16-9-17(20(23)24)11-18(10-16)21(25)26/h3-7,9-11,13-14H,8,12H2,1-2H3