1-hexyl-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-hexyl-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-hexyl-6-oxo-pyridine-3-carboxylate CAS Name: 1-hexyl-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-hexyl-6-oxopyridine-3-carboxylate Traditional Name: 1-hexyl-6-keto-nicotinate Formula: C12H16NO3- MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C=CC1=O)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(C=CC1=O)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-2-3-4-5-8-13-9-10(12(15)16)6-7-11(13)14/h6-7,9H,2-5,8H2,1H3,(H,15,16)/p-1