2-oxidanylidenepropyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: acetonyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid acetonyl ester Formula: C12H11NO7 MolecularWeight: 281.21824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C12H11NO7/c1-7(14)6-20-12(15)8-4-10-11(19-3-2-18-10)5-9(8)13(16)17/h4-5H,2-3,6H2,1H3