2-bromanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoic acid

Systemtic Name: 2-bromanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoic acid Openeye Name: 2-bromo-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoic acid CAS Name: 2-bromo-5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-bromo-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoic acid Traditional Name: 2-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)benzoic acid Formula: C17H13BrN2O6 MolecularWeight: 421.19892

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)Br)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=O)NC3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H13BrN2O6/c18-12-3-2-10(8-11(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)