ethyl 2,4-dimethyl-3,5-dinitro-benzoate

Systemtic Name: ethyl 2,4-dimethyl-3,5-dinitro-benzoate Openeye Name: ethyl 2,4-dimethyl-3,5-dinitro-benzoate CAS Name: 2,4-dimethyl-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-3,5-dinitrobenzoate Traditional Name: 2,4-dimethyl-3,5-dinitro-benzoic acid ethyl ester Formula: C11H12N2O6 MolecularWeight: 268.22278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O6/c1-4-19-11(14)8-5-9(12(15)16)7(3)10(6(8)2)13(17)18/h5H,4H2,1-3H3