sodium 5,5-dimethyl-2-oxidanylidene-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylate

Systemtic Name: sodium 5,5-dimethyl-2-oxidanylidene-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylate Openeye Name: sodium 5,5-dimethyl-2-oxo-4-[(E)-2-(3-pyridyl)vinyl]furan-3-carboxylate CAS Name: sodium 5,5-dimethyl-2-oxo-4-[(E)-2-(3-pyridinyl)ethenyl]-3-furancarboxylate IUPAC Name: sodium 5,5-dimethyl-2-oxo-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylate Traditional Name: sodium 2-keto-5,5-dimethyl-4-[(E)-2-(3-pyridyl)vinyl]-3-furoate Formula: C14H12NNaO4 MolecularWeight: 281.23915

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C(=O)[O-])C=CC2=CN=CC=C2)C.[Na+]

Isomeric SMILES

CC1(C(=C(C(=O)O1)C(=O)[O-])/C=C/C2=CN=CC=C2)C.[Na+]

InChI

InChI=1S/C14H13NO4.Na/c1-14(2)10(11(12(16)17)13(18)19-14)6-5-9-4-3-7-15-8-9;/h3-8H,1-2H3,(H,16,17);/q;+1/p-1/b6-5+;