3-[2-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyridin-1-yl]propyl benzoate

Systemtic Name: 3-[2-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyridin-1-yl]propyl benzoate Openeye Name: 3-[3-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]propyl benzoate CAS Name: benzoic acid 3-[3-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]propyl ester IUPAC Name: 3-[3-hydroxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]propyl benzoate Traditional Name: benzoic acid 3-(3-hydroxy-4-keto-2-methylol-1-pyridyl)propyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCN2C=CC(=O)C(=C2CO)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCN2C=CC(=O)C(=C2CO)O

InChI

InChI=1S/C16H17NO5/c18-11-13-15(20)14(19)7-9-17(13)8-4-10-22-16(21)12-5-2-1-3-6-12/h1-3,5-7,9,18,20H,4,8,10-11H2