3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propionic acid Formula: C17H16N2O8S MolecularWeight: 408.38254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O8S/c20-17(21)10-13(12-3-1-2-4-14(12)19(22)23)18-28(24,25)11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9,13,18H,7-8,10H2,(H,20,21)