hydron; 2-(pyridin-3-ylcarbonylamino)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate; chloride

Systemtic Name: hydron; 2-(pyridin-3-ylcarbonylamino)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate; chloride Openeye Name: hydron; 2-(pyridine-3-carbonylamino)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate; chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester; hydron; chloride IUPAC Name: hydron; 2-(pyridine-3-carbonylamino)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate; chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-nicotinamidoethyl ester; hydron; chloride Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C1C(OC2=CC=CC=C2O1)C(=O)OCCNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

[H+].C1C(OC2=CC=CC=C2O1)C(=O)OCCNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C17H16N2O5.ClH/c20-16(12-4-3-7-18-10-12)19-8-9-22-17(21)15-11-23-13-5-1-2-6-14(13)24-15;/h1-7,10,15H,8-9,11H2,(H,19,20);1H