methyl 5-(5-methoxy-5-oxidanylidene-pentyl)-4-nitro-thiophene-2-carboxylate

Systemtic Name: methyl 5-(5-methoxy-5-oxidanylidene-pentyl)-4-nitro-thiophene-2-carboxylate Openeye Name: methyl 5-(5-methoxy-5-oxo-pentyl)-4-nitro-thiophene-2-carboxylate CAS Name: 5-(5-methoxy-5-oxopentyl)-4-nitro-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(5-methoxy-5-oxopentyl)-4-nitrothiophene-2-carboxylate Traditional Name: 5-(5-keto-5-methoxy-pentyl)-4-nitro-thiophene-2-carboxylic acid methyl ester Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO6S/c1-18-11(14)6-4-3-5-9-8(13(16)17)7-10(20-9)12(15)19-2/h7H,3-6H2,1-2H3