[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O5/c17-11-5-10(7-18-8-11)16(21)24-9-15(20)19-12-1-2-13-14(6-12)23-4-3-22-13/h1-2,5-8H,3-4,9H2,(H,19,20)