sodium 4-oxidanylidene-2,6-diphenyl-1-propyl-pyridine-3-carboxylate

Systemtic Name: sodium 4-oxidanylidene-2,6-diphenyl-1-propyl-pyridine-3-carboxylate Openeye Name: sodium 4-oxo-2,6-diphenyl-1-propyl-pyridine-3-carboxylate CAS Name: sodium 4-oxo-2,6-diphenyl-1-propyl-3-pyridinecarboxylate IUPAC Name: sodium 4-oxo-2,6-diphenyl-1-propylpyridine-3-carboxylate Traditional Name: sodium 4-keto-2,6-diphenyl-1-propyl-nicotinate Formula: C21H18NNaO3 MolecularWeight: 355.36229

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)C(=C1C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCN1C(=CC(=O)C(=C1C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H19NO3.Na/c1-2-13-22-17(15-9-5-3-6-10-15)14-18(23)19(21(24)25)20(22)16-11-7-4-8-12-16;/h3-12,14H,2,13H2,1H3,(H,24,25);/q;+1/p-1