sodium 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoate

Systemtic Name: sodium 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: sodium 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate CAS Name: sodium 4-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]benzoate IUPAC Name: sodium 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate Traditional Name: sodium 4-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)benzoate Formula: C17H13N2NaO6 MolecularWeight: 364.28469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=O)NC3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=O)NC3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H14N2O6.Na/c20-15(11-3-6-13-14(9-11)25-8-7-24-13)19-17(23)18-12-4-1-10(2-5-12)16(21)22;/h1-6,9H,7-8H2,(H,21,22)(H2,18,19,20,23);/q;+1/p-1