ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H18N2O7S/c1-2-29-22(26)19-15(13-6-5-7-14(10-13)24(27)28)12-32-21(19)23-20(25)18-11-30-16-8-3-4-9-17(16)31-18/h3-10,12,18H,2,11H2,1H3,(H,23,25)