3-methylbutyl 2,4-dinitrobenzoate

Systemtic Name: 3-methylbutyl 2,4-dinitrobenzoate Openeye Name: isopentyl 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid isoamyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-8(2)5-6-20-12(15)10-4-3-9(13(16)17)7-11(10)14(18)19/h3-4,7-8H,5-6H2,1-2H3