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

Systemtic Name: sodium 2-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: sodium 2-chloro-4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate CAS Name: sodium 2-chloro-4-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]benzoate IUPAC Name: sodium 2-chloro-4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate Traditional Name: sodium 2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)benzoate Formula: C17H12ClN2NaO6 MolecularWeight: 398.72975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O6.Na/c18-12-8-10(2-3-11(12)16(22)23)19-17(24)20-15(21)9-1-4-13-14(7-9)26-6-5-25-13;/h1-4,7-8H,5-6H2,(H,22,23)(H2,19,20,21,24);/q;+1/p-1