sodium 1-methyl-4-oxidanylidene-6-phenyl-2-propyl-pyridine-3-carboxylate

Systemtic Name: sodium 1-methyl-4-oxidanylidene-6-phenyl-2-propyl-pyridine-3-carboxylate Openeye Name: sodium 1-methyl-4-oxo-6-phenyl-2-propyl-pyridine-3-carboxylate CAS Name: sodium 1-methyl-4-oxo-6-phenyl-2-propyl-3-pyridinecarboxylate IUPAC Name: sodium 1-methyl-4-oxo-6-phenyl-2-propylpyridine-3-carboxylate Traditional Name: sodium 4-keto-1-methyl-6-phenyl-2-propyl-nicotinate Formula: C16H16NNaO3 MolecularWeight: 293.29291

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1C)C2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1C)C2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H17NO3.Na/c1-3-7-12-15(16(19)20)14(18)10-13(17(12)2)11-8-5-4-6-9-11;/h4-6,8-10H,3,7H2,1-2H3,(H,19,20);/q;+1/p-1