1-(oxan-4-ylmethyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(oxan-4-ylmethyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 2-oxo-1-(tetrahydropyran-4-ylmethyl)pyridine-3-carboxylic acid CAS Name: 1-(4-oxanylmethyl)-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 2-keto-1-(tetrahydropyran-4-ylmethyl)nicotinic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2C=CC=C(C2=O)C(=O)O

Isomeric SMILES

C1COCCC1CN2C=CC=C(C2=O)C(=O)O

InChI

InChI=1S/C12H15NO4/c14-11-10(12(15)16)2-1-5-13(11)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,15,16)