2-oxidanylidenepropyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: acetonyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid acetonyl ester Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO5S/c1-7(14)6-18-12(15)11-5-8-4-9(13(16)17)2-3-10(8)19-11/h2-5H,6H2,1H3