sodium 5-bromanyl-1,2-dimethyl-4-oxidanylidene-6-phenyl-pyridine-3-carboxylate

Systemtic Name: sodium 5-bromanyl-1,2-dimethyl-4-oxidanylidene-6-phenyl-pyridine-3-carboxylate Openeye Name: sodium 5-bromo-1,2-dimethyl-4-oxo-6-phenyl-pyridine-3-carboxylate CAS Name: sodium 5-bromo-1,2-dimethyl-4-oxo-6-phenyl-3-pyridinecarboxylate IUPAC Name: sodium 5-bromo-1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylate Traditional Name: sodium 5-bromo-4-keto-1,2-dimethyl-6-phenyl-nicotinate Formula: C14H11BrNNaO3 MolecularWeight: 344.13581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(N1C)C2=CC=CC=C2)Br)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)C(=C(N1C)C2=CC=CC=C2)Br)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H12BrNO3.Na/c1-8-10(14(18)19)13(17)11(15)12(16(8)2)9-6-4-3-5-7-9;/h3-7H,1-2H3,(H,18,19);/q;+1/p-1