2-oxidanylidenepropyl 3,5-dinitrobenzoate

Systemtic Name: 2-oxidanylidenepropyl 3,5-dinitrobenzoate Openeye Name: acetonyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid acetonyl ester Formula: C10H8N2O7 MolecularWeight: 268.17972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O7/c1-6(13)5-19-10(14)7-2-8(11(15)16)4-9(3-7)12(17)18/h2-4H,5H2,1H3