methyl 2-bromanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoate

Systemtic Name: methyl 2-bromanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: methyl 2-bromo-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate CAS Name: 2-bromo-5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)benzoate Traditional Name: 2-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)benzoic acid methyl ester Formula: C18H15BrN2O6 MolecularWeight: 435.2255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C18H15BrN2O6/c1-25-17(23)12-9-11(3-4-13(12)19)20-18(24)21-16(22)10-2-5-14-15(8-10)27-7-6-26-14/h2-5,8-9H,6-7H2,1H3,(H2,20,21,22,24)