3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-5-(3-nitrophenyl)-2-thenoic acid Formula: C20H14N2O7S MolecularWeight: 426.39936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H14N2O7S/c23-19(12-4-5-15-16(9-12)29-7-6-28-15)21-14-10-17(30-18(14)20(24)25)11-2-1-3-13(8-11)22(26)27/h1-5,8-10H,6-7H2,(H,21,23)(H,24,25)