3-oxidanylidenebutyl 3,5-dinitrobenzoate

Systemtic Name: 3-oxidanylidenebutyl 3,5-dinitrobenzoate Openeye Name: 3-oxobutyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 3-ketobutyl ester Formula: C11H10N2O7 MolecularWeight: 282.2063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O7/c1-7(14)2-3-20-11(15)8-4-9(12(16)17)6-10(5-8)13(18)19/h4-6H,2-3H2,1H3