ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C15H12N2O7S MolecularWeight: 364.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H12N2O7S/c1-2-22-15(19)9-6-12(17(20)21)25-14(9)16-13(18)8-3-4-10-11(5-8)24-7-23-10/h3-6H,2,7H2,1H3,(H,16,18)