(2,4-dinitrophenyl) 3-methylpentanoate

Systemtic Name: (2,4-dinitrophenyl) 3-methylpentanoate Openeye Name: (2,4-dinitrophenyl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (2,4-dinitrophenyl) ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-3-8(2)6-12(15)20-11-5-4-9(13(16)17)7-10(11)14(18)19/h4-5,7-8H,3,6H2,1-2H3