6-oxidanylidene-1-prop-2-ynyl-pyridine-3-carboxylic acid

Systemtic Name: 6-oxidanylidene-1-prop-2-ynyl-pyridine-3-carboxylic acid Openeye Name: 6-oxo-1-prop-2-ynyl-pyridine-3-carboxylic acid CAS Name: 6-oxo-1-prop-2-ynyl-3-pyridinecarboxylic acid IUPAC Name: 6-oxo-1-prop-2-ynylpyridine-3-carboxylic acid Traditional Name: 6-keto-1-propargyl-nicotinic acid Formula: C9H7NO3 MolecularWeight: 177.15678

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C=CC1=O)C(=O)O

Isomeric SMILES

C#CCN1C=C(C=CC1=O)C(=O)O

InChI

InChI=1S/C9H7NO3/c1-2-5-10-6-7(9(12)13)3-4-8(10)11/h1,3-4,6H,5H2,(H,12,13)