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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-14(7-8-15-5-3-2-4-6-15)9-10-27-19(22)16-11-17(20(23)24)13-18(12-16)21(25)26/h2-6,11-14H,7-10H2,1H3